diff --git a/models/finetuned/bace/checkpoint_epoch_025/config.json b/models/finetuned/bace/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/bace/checkpoint_epoch_025/merges.txt b/models/finetuned/bace/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/bace/checkpoint_epoch_025/model.pt b/models/finetuned/bace/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..34d885fdb2c94581c290984e5158af8aa821f504
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:155ae50273d6ae3fb3badd7bd9021a5737165434ae9487d89face60faccb20f6
+size 1022855293
diff --git a/models/finetuned/bace/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/bace/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bace/checkpoint_epoch_025/tokenizer.json b/models/finetuned/bace/checkpoint_epoch_025/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 1,
+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 3,
+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 4,
+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
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+      "<mask>": 4,
+      "\n": 5,
+      "#": 6,
+      "+": 7,
+      "-": 8,
+      ".": 9,
+      "/": 10,
+      "0": 11,
+      "1": 12,
+      "2": 13,
+      "3": 14,
+      "4": 15,
+      "5": 16,
+      "6": 17,
+      "7": 18,
+      "8": 19,
+      "9": 20,
+      "=": 21,
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+      "A": 23,
+      "B": 24,
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+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
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+      "c": 42,
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+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
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+      "@+1": 128,
+      "3H": 129,
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+      "H0": 131,
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+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
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+      "Mg+2": 181,
+      "123": 182,
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+      "13": 184,
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+      "/O-1": 186,
+      "-\\Ring1": 187,
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+      "BH2-1": 189,
+      "\\I": 190,
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+      "131": 193,
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+      "=14C": 195,
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+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
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+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
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+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
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+      "a n",
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+      "Bran ch",
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+      "= C",
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+      "= Branch2",
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+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
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+      "=N -1",
+      "S e",
+      "= P",
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+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
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+      "5 I",
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+      "11 C",
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+      "N @+1",
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+      "a +2",
+      "/ I",
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+      "Mg +2",
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+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
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+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
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+      "S H1+1",
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+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
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+      "N @@",
+      "As +1",
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+      "S H1",
+      "/ 123I",
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+      "\\ B",
+      "Si H1",
+      "P@@ +1",
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+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
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+      "125I H1",
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+      "Te H1",
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+      "13C H3",
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+      "# S",
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+      "/ PH1",
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+      "/ As",
+      "/ 14C",
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+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
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+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
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+      "Si H1-1",
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+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
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+      "123 Te",
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+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/bace/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/bace/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
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+  "bos_token": {
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+    "lstrip": false,
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+    "rstrip": false,
+    "single_word": false
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+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
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+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
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+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bace/checkpoint_epoch_025/vocab.json b/models/finetuned/bace/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/bace/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/models/finetuned/bace/config.json b/models/finetuned/bace/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/bace/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
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+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
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+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/bace/merges.txt b/models/finetuned/bace/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/bace/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/bace/model.pt b/models/finetuned/bace/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..5557f9c3c74f91a50aa359848815ba6469e3dce1
--- /dev/null
+++ b/models/finetuned/bace/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:62289c1112babd62c4b045f6971b8dcdd42201fb5a17acf59a471db88f14a56e
+size 1022855293
diff --git a/models/finetuned/bace/special_tokens_map.json b/models/finetuned/bace/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/bace/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bace/tokenizer.json b/models/finetuned/bace/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/bace/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 1,
+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 3,
+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 4,
+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
+      "#": 6,
+      "+": 7,
+      "-": 8,
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+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
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+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
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+      "+2": 135,
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+      "-/": 139,
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+      "5I": 144,
+      "125I": 145,
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+      "-\\": 149,
+      "/C@@": 150,
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+      "/Cl": 153,
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+      "=Se": 155,
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+      "N@+1": 157,
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+      "14C": 160,
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+      "H2": 164,
+      "H1-1": 165,
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+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
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+      "13": 184,
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+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
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+      "\\C@": 200,
+      "Ag": 201,
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+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
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+      "H1+1": 213,
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+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
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+      "BH3-1": 225,
+      "S@": 226,
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+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/bace/tokenizer_config.json b/models/finetuned/bace/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/bace/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bace/train_stdout.log b/models/finetuned/bace/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..03c26b0ae4120b70ae323542a7cffa79f8253ca4
--- /dev/null
+++ b/models/finetuned/bace/train_stdout.log
@@ -0,0 +1,91 @@
+[finetune] starting
+[finetune] device=cuda task_type=binary batch_size=16 max_len=128 backbone_lr=5e-05 head_lr=1e-05 weight_decay=0.1 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/bace/bace.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/bace/bace_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=True seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+
+  0%|          | 0/1513 [00:00<?, ?it/s]
+ 21%|██▏       | 325/1513 [00:00<00:00, 3239.43it/s]
+ 43%|████▎     | 649/1513 [00:00<00:00, 3235.14it/s]
+ 66%|██████▋   | 1006/1513 [00:00<00:00, 3386.92it/s]
+ 90%|█████████ | 1362/1513 [00:00<00:00, 3454.73it/s]
+100%|██████████| 1513/1513 [00:00<00:00, 3457.01it/s]
+[finetune] split sizes: train=1,210 val=151 test=152
+[finetune] train modality_non_empty: graph=1,210/1,210 text=87/1,210 kg=172/1,210
+[finetune] val   modality_non_empty: graph=151/151 text=2/151 kg=8/151
+[finetune] test  modality_non_empty: graph=152/152 text=23/152 kg=18/152
+[finetune] extracting labels...
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=76 val_steps=10 test_steps=10
+[finetune] initialized head: in_dim=3072 out=2
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=0.6443 val_loss=0.5344 time=20.3s tod=02:28
+[finetune] epoch 2/50: train_loss=0.5351 val_loss=0.4565 time=20.1s tod=02:29
+[finetune] epoch 3/50: train_loss=0.4530 val_loss=0.4736 time=20.2s tod=02:29
+[finetune] epoch 4/50: train_loss=0.4232 val_loss=0.3851 time=20.0s tod=02:29
+[finetune] epoch 5/50: train_loss=0.3725 val_loss=0.5440 time=20.1s tod=02:30
+[finetune] epoch 6/50: train_loss=0.3314 val_loss=0.4757 time=20.1s tod=02:30
+[finetune] epoch 7/50: train_loss=0.3265 val_loss=0.6589 time=20.1s tod=02:30
+[finetune] epoch 8/50: train_loss=0.3003 val_loss=0.4855 time=20.1s tod=02:31
+[finetune] epoch 9/50: train_loss=0.2645 val_loss=0.4110 time=20.0s tod=02:31
+[finetune] epoch 10/50: train_loss=0.2473 val_loss=0.5245 time=20.0s tod=02:31
+[finetune] epoch 11/50: train_loss=0.2134 val_loss=0.4764 time=20.1s tod=02:32
+[finetune] epoch 12/50: train_loss=0.1911 val_loss=0.5448 time=20.1s tod=02:32
+[finetune] epoch 13/50: train_loss=0.1706 val_loss=0.6041 time=20.2s tod=02:32
+[finetune] epoch 14/50: train_loss=0.1543 val_loss=0.6573 time=20.3s tod=02:33
+[finetune] epoch 15/50: train_loss=0.1514 val_loss=0.7120 time=20.2s tod=02:33
+[finetune] epoch 16/50: train_loss=0.1367 val_loss=0.5487 time=20.0s tod=02:33
+[finetune] epoch 17/50: train_loss=0.1170 val_loss=0.6278 time=20.1s tod=02:34
+[finetune] epoch 18/50: train_loss=0.1168 val_loss=0.5940 time=20.0s tod=02:34
+[finetune] epoch 19/50: train_loss=0.0957 val_loss=0.6297 time=20.2s tod=02:34
+[finetune] epoch 20/50: train_loss=0.0911 val_loss=0.7283 time=19.0s tod=02:35
+[finetune] epoch 21/50: train_loss=0.0738 val_loss=0.6790 time=20.2s tod=02:35
+[finetune] epoch 22/50: train_loss=0.0631 val_loss=0.6892 time=20.1s tod=02:35
+[finetune] epoch 23/50: train_loss=0.0577 val_loss=0.7209 time=20.1s tod=02:36
+[finetune] epoch 24/50: train_loss=0.0533 val_loss=0.8518 time=17.3s tod=02:36
+[finetune] epoch 25/50: train_loss=0.0614 val_loss=0.9262 time=13.7s tod=02:36
+[finetune] test_metrics: epoch=25 loss=1.3773 accuracy=0.7961 precision=0.7568 recall=0.8116 f1=0.7832 roc-auc=0.7974 prc-auc=0.8269
+[finetune] saved checkpoint (best roc-auc=0.7974): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/bace/e0tdguei/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=0.0411 val_loss=0.7979 time=15.5s tod=02:37
+[finetune] epoch 27/50: train_loss=0.0465 val_loss=0.8770 time=20.1s tod=02:37
+[finetune] epoch 28/50: train_loss=0.0277 val_loss=0.9220 time=20.1s tod=02:37
+[finetune] epoch 29/50: train_loss=0.0290 val_loss=0.8844 time=20.1s tod=02:38
+[finetune] epoch 30/50: train_loss=0.0214 val_loss=0.9923 time=20.0s tod=02:38
+[finetune] epoch 31/50: train_loss=0.0187 val_loss=0.8791 time=20.2s tod=02:38
+[finetune] epoch 32/50: train_loss=0.0210 val_loss=0.9760 time=20.1s tod=02:39
+[finetune] epoch 33/50: train_loss=0.0211 val_loss=0.9671 time=20.0s tod=02:39
+[finetune] epoch 34/50: train_loss=0.0161 val_loss=1.0266 time=20.1s tod=02:39
+[finetune] epoch 35/50: train_loss=0.0154 val_loss=1.0887 time=20.1s tod=02:40
+[finetune] epoch 36/50: train_loss=0.0117 val_loss=1.0074 time=20.1s tod=02:40
+[finetune] epoch 37/50: train_loss=0.0072 val_loss=0.9916 time=20.1s tod=02:40
+[finetune] epoch 38/50: train_loss=0.0092 val_loss=1.0393 time=20.2s tod=02:41
+[finetune] epoch 39/50: train_loss=0.0090 val_loss=1.1473 time=20.2s tod=02:41
+[finetune] epoch 40/50: train_loss=0.0055 val_loss=1.1209 time=20.0s tod=02:41
+[finetune] epoch 41/50: train_loss=0.0060 val_loss=1.1437 time=20.2s tod=02:42
+[finetune] epoch 42/50: train_loss=0.0039 val_loss=1.2147 time=20.1s tod=02:42
+[finetune] epoch 43/50: train_loss=0.0033 val_loss=1.2128 time=20.1s tod=02:42
+[finetune] epoch 44/50: train_loss=0.0027 val_loss=1.2480 time=20.1s tod=02:43
+[finetune] epoch 45/50: train_loss=0.0019 val_loss=1.2552 time=20.1s tod=02:43
+[finetune] epoch 46/50: train_loss=0.0017 val_loss=1.2641 time=20.1s tod=02:43
+[finetune] epoch 47/50: train_loss=0.0008 val_loss=1.2660 time=20.1s tod=02:44
+[finetune] epoch 48/50: train_loss=0.0008 val_loss=1.2750 time=20.0s tod=02:44
+[finetune] epoch 49/50: train_loss=0.0005 val_loss=1.2843 time=20.1s tod=02:44
+[finetune] epoch 50/50: train_loss=0.0004 val_loss=1.2864 time=20.2s tod=02:45
+[finetune] test_metrics: epoch=50 loss=2.1284 accuracy=0.7697 precision=0.7429 recall=0.7536 f1=0.7482 roc-auc=0.7684 prc-auc=0.8042
+[finetune] checkpoint skipped (current roc-auc=0.7684 vs best=0.7974 at epoch 25)
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=2.1284 accuracy=0.7697 precision=0.7429 recall=0.7536 f1=0.7482 roc-auc=0.7684 prc-auc=0.8042
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/bace/e0tdguei
+[finetune] done in 1002.9s
diff --git a/models/finetuned/bace/vocab.json b/models/finetuned/bace/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/bace/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/config.json b/models/finetuned/bbbp/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/merges.txt b/models/finetuned/bbbp/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/model.pt b/models/finetuned/bbbp/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..635d918ef72548978cdce205bcea6f42f7397b56
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:572adcc56b21fcab865200ba7d42bac8b619e8b42b29c2db7dd10e1e4e905a7a
+size 1022855293
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/bbbp/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/tokenizer.json b/models/finetuned/bbbp/checkpoint_epoch_025/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
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+    },
+    {
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+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
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+    {
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+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
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+    },
+    {
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+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
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+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
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+      "+": 7,
+      "-": 8,
+      ".": 9,
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+      "1": 12,
+      "2": 13,
+      "3": 14,
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+      "5": 16,
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+      "7": 18,
+      "8": 19,
+      "9": 20,
+      "=": 21,
+      "@": 22,
+      "A": 23,
+      "B": 24,
+      "C": 25,
+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/bbbp/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bbbp/checkpoint_epoch_025/vocab.json b/models/finetuned/bbbp/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/config.json b/models/finetuned/bbbp/checkpoint_epoch_050/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/merges.txt b/models/finetuned/bbbp/checkpoint_epoch_050/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/model.pt b/models/finetuned/bbbp/checkpoint_epoch_050/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..a27b52e128ed17cabe4cf7875c06eb290f65abe8
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:56553557c9abbd004f18d16f7862060afa43a9b8a7b4f3a95956b77cc7e7ea27
+size 1022855293
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/special_tokens_map.json b/models/finetuned/bbbp/checkpoint_epoch_050/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/tokenizer.json b/models/finetuned/bbbp/checkpoint_epoch_050/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
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+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
+      "special": true
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+    {
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+      "single_word": false,
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+      "content": "</s>",
+      "single_word": false,
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+    {
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+      "content": "<mask>",
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+      "lstrip": true,
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+      "normalized": true,
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+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
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+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
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+      "-": 8,
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+      "3": 14,
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+      "5": 16,
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+      "=": 21,
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+      "A": 23,
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+      "C": 25,
+      "F": 26,
+      "H": 27,
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+      "K": 29,
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+      "M": 31,
+      "N": 32,
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+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
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+      "#N": 85,
+      "/N": 86,
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+      "Na": 91,
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+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/tokenizer_config.json b/models/finetuned/bbbp/checkpoint_epoch_050/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bbbp/checkpoint_epoch_050/vocab.json b/models/finetuned/bbbp/checkpoint_epoch_050/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/bbbp/checkpoint_epoch_050/vocab.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/models/finetuned/bbbp/config.json b/models/finetuned/bbbp/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/bbbp/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/bbbp/merges.txt b/models/finetuned/bbbp/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/bbbp/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/bbbp/model.pt b/models/finetuned/bbbp/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..a27b52e128ed17cabe4cf7875c06eb290f65abe8
--- /dev/null
+++ b/models/finetuned/bbbp/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:56553557c9abbd004f18d16f7862060afa43a9b8a7b4f3a95956b77cc7e7ea27
+size 1022855293
diff --git a/models/finetuned/bbbp/special_tokens_map.json b/models/finetuned/bbbp/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/bbbp/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bbbp/tokenizer.json b/models/finetuned/bbbp/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/bbbp/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 1,
+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
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+      "+": 7,
+      "-": 8,
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+      "7": 18,
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+      "9": 20,
+      "=": 21,
+      "@": 22,
+      "A": 23,
+      "B": 24,
+      "C": 25,
+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/bbbp/tokenizer_config.json b/models/finetuned/bbbp/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/bbbp/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/bbbp/train_stdout.log b/models/finetuned/bbbp/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..e6f1c4bb9d809523a6881395f093c8192e483169
--- /dev/null
+++ b/models/finetuned/bbbp/train_stdout.log
@@ -0,0 +1,91 @@
+[finetune] starting
+[finetune] device=cuda task_type=binary batch_size=32 max_len=128 backbone_lr=5e-05 head_lr=5e-05 weight_decay=0.01 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/bbbp/bbbp.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/bbbp/bbbp_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=True seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+
+  0%|          | 0/2039 [00:00<?, ?it/s]
+ 21%|██        | 425/2039 [00:00<00:00, 4245.72it/s]
+ 43%|████▎     | 885/2039 [00:00<00:00, 4448.82it/s]
+ 67%|██████▋   | 1358/2039 [00:00<00:00, 4573.64it/s]
+ 94%|█████████▍| 1923/2039 [00:00<00:00, 4995.19it/s]
+100%|██████████| 2039/2039 [00:00<00:00, 4863.36it/s]
+[finetune] split sizes: train=1,631 val=203 test=205
+[finetune] train modality_non_empty: graph=1,631/1,631 text=1,089/1,631 kg=48/1,631
+[finetune] val   modality_non_empty: graph=203/203 text=151/203 kg=3/203
+[finetune] test  modality_non_empty: graph=205/205 text=136/205 kg=4/205
+[finetune] extracting labels...
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=51 val_steps=7 test_steps=7
+[finetune] initialized head: in_dim=3072 out=2
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=0.4502 val_loss=0.3330 time=19.7s tod=11:10
+[finetune] epoch 2/50: train_loss=0.2497 val_loss=0.2723 time=19.6s tod=11:11
+[finetune] epoch 3/50: train_loss=0.1748 val_loss=0.3403 time=19.2s tod=11:11
+[finetune] epoch 4/50: train_loss=0.1205 val_loss=0.3844 time=19.3s tod=11:11
+[finetune] epoch 5/50: train_loss=0.0923 val_loss=0.4908 time=19.4s tod=11:12
+[finetune] epoch 6/50: train_loss=0.0617 val_loss=0.6117 time=19.3s tod=11:12
+[finetune] epoch 7/50: train_loss=0.0374 val_loss=0.5942 time=19.3s tod=11:12
+[finetune] epoch 8/50: train_loss=0.0312 val_loss=0.6833 time=19.4s tod=11:13
+[finetune] epoch 9/50: train_loss=0.0195 val_loss=0.7027 time=19.3s tod=11:13
+[finetune] epoch 10/50: train_loss=0.0168 val_loss=0.9035 time=19.5s tod=11:13
+[finetune] epoch 11/50: train_loss=0.0116 val_loss=0.6633 time=18.6s tod=11:14
+[finetune] epoch 12/50: train_loss=0.0120 val_loss=0.7813 time=19.4s tod=11:14
+[finetune] epoch 13/50: train_loss=0.0076 val_loss=0.7791 time=19.5s tod=11:14
+[finetune] epoch 14/50: train_loss=0.0072 val_loss=0.8010 time=19.4s tod=11:14
+[finetune] epoch 15/50: train_loss=0.0077 val_loss=0.9591 time=19.5s tod=11:15
+[finetune] epoch 16/50: train_loss=0.0062 val_loss=0.9107 time=19.4s tod=11:15
+[finetune] epoch 17/50: train_loss=0.0027 val_loss=0.9619 time=19.3s tod=11:15
+[finetune] epoch 18/50: train_loss=0.0032 val_loss=0.9483 time=19.7s tod=11:16
+[finetune] epoch 19/50: train_loss=0.0032 val_loss=0.9611 time=19.4s tod=11:16
+[finetune] epoch 20/50: train_loss=0.0025 val_loss=0.9530 time=19.3s tod=11:16
+[finetune] epoch 21/50: train_loss=0.0035 val_loss=0.9558 time=19.5s tod=11:17
+[finetune] epoch 22/50: train_loss=0.0024 val_loss=0.9389 time=19.4s tod=11:17
+[finetune] epoch 23/50: train_loss=0.0023 val_loss=0.9919 time=19.4s tod=11:17
+[finetune] epoch 24/50: train_loss=0.0021 val_loss=1.0150 time=19.6s tod=11:18
+[finetune] epoch 25/50: train_loss=0.0021 val_loss=1.0188 time=19.3s tod=11:18
+[finetune] test_metrics: epoch=25 loss=0.5357 accuracy=0.9073 precision=0.9595 recall=0.9161 f1=0.9373 roc-auc=0.8981 prc-auc=0.9695
+[finetune] saved checkpoint (best roc-auc=0.8981): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/bbbp/9qb82eig/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=0.0017 val_loss=1.0293 time=19.4s tod=11:18
+[finetune] epoch 27/50: train_loss=0.0013 val_loss=1.0406 time=19.7s tod=11:19
+[finetune] epoch 28/50: train_loss=0.0017 val_loss=1.0474 time=19.3s tod=11:19
+[finetune] epoch 29/50: train_loss=0.0020 val_loss=1.0570 time=19.4s tod=11:19
+[finetune] epoch 30/50: train_loss=0.0015 val_loss=1.0563 time=19.6s tod=11:20
+[finetune] epoch 31/50: train_loss=0.0014 val_loss=1.0590 time=19.4s tod=11:20
+[finetune] epoch 32/50: train_loss=0.0010 val_loss=1.0643 time=19.2s tod=11:20
+[finetune] epoch 33/50: train_loss=0.0014 val_loss=1.0696 time=19.5s tod=11:21
+[finetune] epoch 34/50: train_loss=0.0012 val_loss=1.0717 time=19.4s tod=11:21
+[finetune] epoch 35/50: train_loss=0.0017 val_loss=1.0735 time=19.4s tod=11:21
+[finetune] epoch 36/50: train_loss=0.0013 val_loss=1.0781 time=19.6s tod=11:22
+[finetune] epoch 37/50: train_loss=0.0014 val_loss=1.0798 time=18.6s tod=11:22
+[finetune] epoch 38/50: train_loss=0.0009 val_loss=1.0833 time=19.5s tod=11:22
+[finetune] epoch 39/50: train_loss=0.0016 val_loss=1.0830 time=19.6s tod=11:23
+[finetune] epoch 40/50: train_loss=0.0012 val_loss=1.0843 time=19.3s tod=11:23
+[finetune] epoch 41/50: train_loss=0.0010 val_loss=1.0882 time=19.6s tod=11:23
+[finetune] epoch 42/50: train_loss=0.0011 val_loss=1.0891 time=19.3s tod=11:24
+[finetune] epoch 43/50: train_loss=0.0014 val_loss=1.0889 time=19.4s tod=11:24
+[finetune] epoch 44/50: train_loss=0.0010 val_loss=1.0939 time=19.4s tod=11:24
+[finetune] epoch 45/50: train_loss=0.0012 val_loss=1.0937 time=19.3s tod=11:25
+[finetune] epoch 46/50: train_loss=0.0010 val_loss=1.0971 time=19.5s tod=11:25
+[finetune] epoch 47/50: train_loss=0.0012 val_loss=1.0984 time=19.5s tod=11:25
+[finetune] epoch 48/50: train_loss=0.0012 val_loss=1.0978 time=19.3s tod=11:26
+[finetune] epoch 49/50: train_loss=0.0011 val_loss=1.0980 time=19.1s tod=11:26
+[finetune] epoch 50/50: train_loss=0.0010 val_loss=1.0982 time=13.3s tod=11:26
+[finetune] test_metrics: epoch=50 loss=0.5324 accuracy=0.9171 precision=0.9726 recall=0.9161 f1=0.9435 roc-auc=0.9181 prc-auc=0.9761
+[finetune] saved checkpoint (best roc-auc=0.9181): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/bbbp/9qb82eig/checkpoint_epoch_050
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=0.5324 accuracy=0.9171 precision=0.9726 recall=0.9161 f1=0.9435 roc-auc=0.9181 prc-auc=0.9761
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/bbbp/9qb82eig
+[finetune] done in 976.9s
diff --git a/models/finetuned/bbbp/vocab.json b/models/finetuned/bbbp/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/bbbp/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/esol/checkpoint_epoch_025/config.json b/models/finetuned/esol/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/esol/checkpoint_epoch_025/merges.txt b/models/finetuned/esol/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/esol/checkpoint_epoch_025/model.pt b/models/finetuned/esol/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..172bde9641a7e805bf4de474b175f77a7e38d5a5
--- /dev/null
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+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/esol/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/esol/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/esol/checkpoint_epoch_025/vocab.json b/models/finetuned/esol/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/esol/checkpoint_epoch_050/config.json b/models/finetuned/esol/checkpoint_epoch_050/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/esol/checkpoint_epoch_050/merges.txt b/models/finetuned/esol/checkpoint_epoch_050/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/esol/checkpoint_epoch_050/model.pt b/models/finetuned/esol/checkpoint_epoch_050/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..c7053f6e4ecac583450341274eaa264133d4cdf2
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1cea5584251eff6c83eecaee68088f28a1b3cc0048d8380c6ed78beafcb5d031
+size 1022843005
diff --git a/models/finetuned/esol/checkpoint_epoch_050/special_tokens_map.json b/models/finetuned/esol/checkpoint_epoch_050/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/esol/checkpoint_epoch_050/tokenizer.json b/models/finetuned/esol/checkpoint_epoch_050/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
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+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
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+      "content": "<unk>",
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+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<s>",
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+      "rstrip": false,
+      "normalized": true,
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+  "pre_tokenizer": {
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+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
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+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
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+      "C": 25,
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+      "L": 30,
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+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
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+      "#N": 85,
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+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
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+      "Na": 91,
+      "Na+1": 92,
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+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
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+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
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+      "P@@": 130,
+      "H0": 131,
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+      "-/": 139,
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+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
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+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
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+      "C+1": 168,
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+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
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+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
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+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
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+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
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+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
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+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
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+      "=14CH1": 227,
+      "=PH1": 228,
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+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
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+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
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+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
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+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/esol/checkpoint_epoch_050/tokenizer_config.json b/models/finetuned/esol/checkpoint_epoch_050/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/esol/checkpoint_epoch_050/vocab.json b/models/finetuned/esol/checkpoint_epoch_050/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/esol/checkpoint_epoch_050/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/esol/config.json b/models/finetuned/esol/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/esol/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/esol/merges.txt b/models/finetuned/esol/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/esol/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/esol/model.pt b/models/finetuned/esol/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..c7053f6e4ecac583450341274eaa264133d4cdf2
--- /dev/null
+++ b/models/finetuned/esol/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1cea5584251eff6c83eecaee68088f28a1b3cc0048d8380c6ed78beafcb5d031
+size 1022843005
diff --git a/models/finetuned/esol/special_tokens_map.json b/models/finetuned/esol/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/esol/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/esol/tokenizer.json b/models/finetuned/esol/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/esol/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
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+      "NH4+1": 427
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+      "Br an",
+      "Bran ch",
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+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/esol/tokenizer_config.json b/models/finetuned/esol/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/esol/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/esol/train_stdout.log b/models/finetuned/esol/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..ad7f63f0bfb065ea4587adce57b9b88b02103e03
--- /dev/null
+++ b/models/finetuned/esol/train_stdout.log
@@ -0,0 +1,84 @@
+[finetune] starting
+[finetune] device=cuda task_type=regression batch_size=16 max_len=128 backbone_lr=1e-05 head_lr=0.0005 weight_decay=0.1 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/esol/esol.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/esol/esol_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=False seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+[finetune] split sizes: train=902 val=113 test=113
+[finetune] train modality_non_empty: graph=902/902 text=797/902 kg=31/902
+[finetune] val   modality_non_empty: graph=113/113 text=101/113 kg=7/113
+[finetune] test  modality_non_empty: graph=113/113 text=98/113 kg=2/113
+[finetune] extracting labels...
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=57 val_steps=8 test_steps=8
+[finetune] initialized head: in_dim=3072 out=1
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=2.1456 val_loss=0.7541 time=10.5s tod=23:34
+[finetune] epoch 2/50: train_loss=0.5921 val_loss=0.8212 time=10.6s tod=23:34
+[finetune] epoch 3/50: train_loss=0.4620 val_loss=1.0872 time=10.4s tod=23:34
+[finetune] epoch 4/50: train_loss=0.3742 val_loss=0.6175 time=10.6s tod=23:34
+[finetune] epoch 5/50: train_loss=0.3656 val_loss=0.5443 time=10.4s tod=23:34
+[finetune] epoch 6/50: train_loss=0.2373 val_loss=0.8940 time=10.4s tod=23:34
+[finetune] epoch 7/50: train_loss=0.2876 val_loss=0.7784 time=10.6s tod=23:35
+[finetune] epoch 8/50: train_loss=0.2574 val_loss=0.7644 time=10.4s tod=23:35
+[finetune] epoch 9/50: train_loss=0.1703 val_loss=0.5304 time=10.4s tod=23:35
+[finetune] epoch 10/50: train_loss=0.1926 val_loss=0.8380 time=10.4s tod=23:35
+[finetune] epoch 11/50: train_loss=0.1611 val_loss=0.5210 time=10.6s tod=23:35
+[finetune] epoch 12/50: train_loss=0.1468 val_loss=0.4703 time=10.3s tod=23:36
+[finetune] epoch 13/50: train_loss=0.1523 val_loss=0.5576 time=10.4s tod=23:36
+[finetune] epoch 14/50: train_loss=0.1304 val_loss=0.4909 time=10.6s tod=23:36
+[finetune] epoch 15/50: train_loss=0.1077 val_loss=0.5125 time=10.6s tod=23:36
+[finetune] epoch 16/50: train_loss=0.1145 val_loss=0.4894 time=10.3s tod=23:36
+[finetune] epoch 17/50: train_loss=0.1228 val_loss=0.4724 time=10.4s tod=23:36
+[finetune] epoch 18/50: train_loss=0.0919 val_loss=0.5175 time=10.6s tod=23:37
+[finetune] epoch 19/50: train_loss=0.0883 val_loss=0.4762 time=10.4s tod=23:37
+[finetune] epoch 20/50: train_loss=0.0836 val_loss=0.5046 time=8.3s tod=23:37
+[finetune] epoch 21/50: train_loss=0.0758 val_loss=0.5696 time=5.3s tod=23:37
+[finetune] epoch 22/50: train_loss=0.0667 val_loss=0.4784 time=5.3s tod=23:37
+[finetune] epoch 23/50: train_loss=0.0678 val_loss=0.4916 time=5.2s tod=23:37
+[finetune] epoch 24/50: train_loss=0.0691 val_loss=0.5081 time=5.3s tod=23:37
+[finetune] epoch 25/50: train_loss=0.0691 val_loss=0.5231 time=5.3s tod=23:37
+[finetune] test_metrics: epoch=25 loss=0.3905 mse=0.4388 rmse=0.6624 mae=0.4929
+[finetune] saved checkpoint (best rmse=0.6624): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/esol/a0w73dq7/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=0.0674 val_loss=0.4815 time=8.0s tod=23:37
+[finetune] epoch 27/50: train_loss=0.0489 val_loss=0.5125 time=10.4s tod=23:38
+[finetune] epoch 28/50: train_loss=0.0520 val_loss=0.4919 time=10.4s tod=23:38
+[finetune] epoch 29/50: train_loss=0.0428 val_loss=0.5000 time=10.6s tod=23:38
+[finetune] epoch 30/50: train_loss=0.0476 val_loss=0.5481 time=10.4s tod=23:38
+[finetune] epoch 31/50: train_loss=0.0437 val_loss=0.5889 time=10.4s tod=23:38
+[finetune] epoch 32/50: train_loss=0.0469 val_loss=0.5447 time=10.6s tod=23:39
+[finetune] epoch 33/50: train_loss=0.0351 val_loss=0.4789 time=10.3s tod=23:39
+[finetune] epoch 34/50: train_loss=0.0427 val_loss=0.4710 time=10.4s tod=23:39
+[finetune] epoch 35/50: train_loss=0.0325 val_loss=0.4598 time=10.6s tod=23:39
+[finetune] epoch 36/50: train_loss=0.0285 val_loss=0.5224 time=10.4s tod=23:39
+[finetune] epoch 37/50: train_loss=0.0315 val_loss=0.4766 time=10.3s tod=23:39
+[finetune] epoch 38/50: train_loss=0.0259 val_loss=0.4907 time=10.4s tod=23:40
+[finetune] epoch 39/50: train_loss=0.0274 val_loss=0.4913 time=10.4s tod=23:40
+[finetune] epoch 40/50: train_loss=0.0245 val_loss=0.4672 time=10.6s tod=23:40
+[finetune] epoch 41/50: train_loss=0.0238 val_loss=0.4869 time=10.4s tod=23:40
+[finetune] epoch 42/50: train_loss=0.0229 val_loss=0.4674 time=10.4s tod=23:40
+[finetune] epoch 43/50: train_loss=0.0204 val_loss=0.5000 time=10.6s tod=23:40
+[finetune] epoch 44/50: train_loss=0.0198 val_loss=0.4839 time=10.2s tod=23:41
+[finetune] epoch 45/50: train_loss=0.0180 val_loss=0.4792 time=10.5s tod=23:41
+[finetune] epoch 46/50: train_loss=0.0175 val_loss=0.4750 time=10.6s tod=23:41
+[finetune] epoch 47/50: train_loss=0.0169 val_loss=0.4856 time=10.4s tod=23:41
+[finetune] epoch 48/50: train_loss=0.0140 val_loss=0.4864 time=10.4s tod=23:41
+[finetune] epoch 49/50: train_loss=0.0142 val_loss=0.4835 time=10.6s tod=23:42
+[finetune] epoch 50/50: train_loss=0.0130 val_loss=0.4823 time=10.4s tod=23:42
+[finetune] test_metrics: epoch=50 loss=0.3251 mse=0.3635 rmse=0.6029 mae=0.4456
+[finetune] saved checkpoint (best rmse=0.6029): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/esol/a0w73dq7/checkpoint_epoch_050
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=0.3251 mse=0.3635 rmse=0.6029 mae=0.4456
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/esol/a0w73dq7
+[finetune] done in 503.2s
diff --git a/models/finetuned/esol/vocab.json b/models/finetuned/esol/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/esol/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/config.json b/models/finetuned/freesolv/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/merges.txt b/models/finetuned/freesolv/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/model.pt b/models/finetuned/freesolv/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..b4c39ddfaaef7a18c0375b2bd5a792d5f81f38e7
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d13a18f4a09651ebd134329b612d3d6ecdc9f84e8c37f802f8940e6e7631acd5
+size 1022843005
diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/freesolv/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/special_tokens_map.json
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diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/tokenizer.json b/models/finetuned/freesolv/checkpoint_epoch_025/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/tokenizer.json
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+      "32P": 278,
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+      "10B": 305,
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+      "NH3": 310,
+      "S-2": 311,
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+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
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+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
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+      "Be": 331,
+      "B@@": 332,
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+      "= Branch1",
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+      "H 1",
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+      "# Branch1",
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+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
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+      "# C",
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+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/freesolv/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/freesolv/checkpoint_epoch_025/vocab.json b/models/finetuned/freesolv/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/config.json b/models/finetuned/freesolv/checkpoint_epoch_050/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/merges.txt b/models/finetuned/freesolv/checkpoint_epoch_050/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/model.pt b/models/finetuned/freesolv/checkpoint_epoch_050/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..b4db7d8c07d36db777c87860a91fdcbce7b97039
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/model.pt
@@ -0,0 +1,3 @@
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+oid sha256:18d826a9910632f53115fa941647098fcfed72830b225c3d73c45a123e154d64
+size 1022843005
diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/special_tokens_map.json b/models/finetuned/freesolv/checkpoint_epoch_050/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
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diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/tokenizer.json b/models/finetuned/freesolv/checkpoint_epoch_050/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/tokenizer.json
@@ -0,0 +1,909 @@
+{
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+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
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+      "Bi": 284,
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+      "=S@@": 286,
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+      "6Br": 288,
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+      "76Br": 290,
+      "=B": 291,
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+      "18O": 294,
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+      "11CH2": 296,
+      "14C@@H1": 297,
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+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
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+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
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+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
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+      "11CH1": 352,
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+      "Zn+1": 354,
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+      "SiH1-1": 397,
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+      "\\NH1-1": 401,
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+      "89Sr+2": 425,
+      "=32PH1": 426,
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+    "merges": [
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+      "Bran ch",
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+      "= C",
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+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
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+      "Ring 2",
+      "H 1",
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+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
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+      "# C",
+      "C l",
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+      "= Ring1",
+      "+ 1",
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+      "O -1",
+      "N +1",
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+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
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+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
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+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
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+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/tokenizer_config.json b/models/finetuned/freesolv/checkpoint_epoch_050/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/freesolv/checkpoint_epoch_050/vocab.json b/models/finetuned/freesolv/checkpoint_epoch_050/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/freesolv/checkpoint_epoch_050/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/freesolv/config.json b/models/finetuned/freesolv/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/freesolv/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/freesolv/merges.txt b/models/finetuned/freesolv/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/freesolv/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/freesolv/model.pt b/models/finetuned/freesolv/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..b4db7d8c07d36db777c87860a91fdcbce7b97039
--- /dev/null
+++ b/models/finetuned/freesolv/model.pt
@@ -0,0 +1,3 @@
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+oid sha256:18d826a9910632f53115fa941647098fcfed72830b225c3d73c45a123e154d64
+size 1022843005
diff --git a/models/finetuned/freesolv/special_tokens_map.json b/models/finetuned/freesolv/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/freesolv/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
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+    "lstrip": false,
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+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
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+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
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+}
diff --git a/models/finetuned/freesolv/tokenizer.json b/models/finetuned/freesolv/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/freesolv/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
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+    "strategy": "LongestFirst",
+    "stride": 0
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+      "BH1-1": 260,
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+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
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+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
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+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
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+      "15N": 358,
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+      "B@@-1": 360,
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+      "45": 373,
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+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
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+      "=32": 380,
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+      "CH0": 382,
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+      "NH4": 386,
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+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
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+      "\\C-1": 393,
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+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
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+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
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+      "1 2",
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+      "@@ +1",
+      "S -1",
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+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
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+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
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+      "M g",
+      "Zn +2",
+      "A l",
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+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/freesolv/tokenizer_config.json b/models/finetuned/freesolv/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/freesolv/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/freesolv/train_stdout.log b/models/finetuned/freesolv/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..183a4d5663bbb05b5adfeb7778283af490685b3b
--- /dev/null
+++ b/models/finetuned/freesolv/train_stdout.log
@@ -0,0 +1,84 @@
+[finetune] starting
+[finetune] device=cuda task_type=regression batch_size=8 max_len=128 backbone_lr=5e-05 head_lr=0.0005 weight_decay=0.01 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/freesolv/freesolv.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/freesolv/freesolv_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=False seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+[finetune] split sizes: train=513 val=64 test=65
+[finetune] train modality_non_empty: graph=513/513 text=470/513 kg=25/513
+[finetune] val   modality_non_empty: graph=64/64 text=57/64 kg=6/64
+[finetune] test  modality_non_empty: graph=65/65 text=61/65 kg=0/65
+[finetune] extracting labels...
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=65 val_steps=8 test_steps=9
+[finetune] initialized head: in_dim=3072 out=1
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=8.8327 val_loss=8.6622 time=13.2s tod=16:56
+[finetune] epoch 2/50: train_loss=4.4709 val_loss=8.2606 time=12.7s tod=16:56
+[finetune] epoch 3/50: train_loss=3.8963 val_loss=4.6549 time=12.9s tod=16:56
+[finetune] epoch 4/50: train_loss=2.0273 val_loss=3.4323 time=12.2s tod=16:56
+[finetune] epoch 5/50: train_loss=1.5289 val_loss=2.8464 time=12.8s tod=16:56
+[finetune] epoch 6/50: train_loss=1.3175 val_loss=2.9690 time=12.8s tod=16:57
+[finetune] epoch 7/50: train_loss=1.2857 val_loss=2.2687 time=12.7s tod=16:57
+[finetune] epoch 8/50: train_loss=1.2503 val_loss=3.5530 time=12.8s tod=16:57
+[finetune] epoch 9/50: train_loss=1.2438 val_loss=1.9285 time=12.8s tod=16:57
+[finetune] epoch 10/50: train_loss=0.9841 val_loss=1.9874 time=12.3s tod=16:57
+[finetune] epoch 11/50: train_loss=0.9595 val_loss=2.1377 time=12.7s tod=16:58
+[finetune] epoch 12/50: train_loss=0.7905 val_loss=1.8522 time=12.8s tod=16:58
+[finetune] epoch 13/50: train_loss=0.6547 val_loss=2.2271 time=12.8s tod=16:58
+[finetune] epoch 14/50: train_loss=0.6922 val_loss=1.9394 time=12.7s tod=16:58
+[finetune] epoch 15/50: train_loss=0.5703 val_loss=2.7039 time=12.9s tod=16:58
+[finetune] epoch 16/50: train_loss=0.6377 val_loss=1.4721 time=12.7s tod=16:59
+[finetune] epoch 17/50: train_loss=0.5650 val_loss=2.9902 time=12.3s tod=16:59
+[finetune] epoch 18/50: train_loss=0.4907 val_loss=2.0984 time=12.8s tod=16:59
+[finetune] epoch 19/50: train_loss=0.4697 val_loss=2.9616 time=12.8s tod=16:59
+[finetune] epoch 20/50: train_loss=0.4219 val_loss=1.2584 time=12.6s tod=17:00
+[finetune] epoch 21/50: train_loss=0.4772 val_loss=1.4099 time=12.8s tod=17:00
+[finetune] epoch 22/50: train_loss=0.3259 val_loss=1.9489 time=12.8s tod=17:00
+[finetune] epoch 23/50: train_loss=0.3399 val_loss=1.6618 time=11.3s tod=17:00
+[finetune] epoch 24/50: train_loss=0.3765 val_loss=1.7658 time=8.7s tod=17:00
+[finetune] epoch 25/50: train_loss=0.3145 val_loss=2.0268 time=8.6s tod=17:00
+[finetune] test_metrics: epoch=25 loss=1.4893 mse=1.6323 rmse=1.2776 mae=0.9874
+[finetune] saved checkpoint (best rmse=1.2776): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/freesolv/4zs7c1p0/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=0.3076 val_loss=1.5888 time=8.5s tod=17:01
+[finetune] epoch 27/50: train_loss=0.2732 val_loss=1.6552 time=10.7s tod=17:01
+[finetune] epoch 28/50: train_loss=0.2281 val_loss=1.2463 time=12.9s tod=17:01
+[finetune] epoch 29/50: train_loss=0.3385 val_loss=1.6431 time=12.3s tod=17:01
+[finetune] epoch 30/50: train_loss=0.2315 val_loss=1.0546 time=12.6s tod=17:01
+[finetune] epoch 31/50: train_loss=0.2672 val_loss=1.4163 time=12.8s tod=17:02
+[finetune] epoch 32/50: train_loss=0.1979 val_loss=1.1115 time=12.8s tod=17:02
+[finetune] epoch 33/50: train_loss=0.2258 val_loss=1.6268 time=12.8s tod=17:02
+[finetune] epoch 34/50: train_loss=0.1904 val_loss=1.4480 time=12.7s tod=17:02
+[finetune] epoch 35/50: train_loss=0.1873 val_loss=1.2501 time=12.9s tod=17:02
+[finetune] epoch 36/50: train_loss=0.1512 val_loss=1.5128 time=12.2s tod=17:03
+[finetune] epoch 37/50: train_loss=0.1381 val_loss=1.2301 time=12.8s tod=17:03
+[finetune] epoch 38/50: train_loss=0.1482 val_loss=1.5650 time=12.9s tod=17:03
+[finetune] epoch 39/50: train_loss=0.1227 val_loss=1.4072 time=12.7s tod=17:03
+[finetune] epoch 40/50: train_loss=0.1140 val_loss=1.1888 time=12.9s tod=17:04
+[finetune] epoch 41/50: train_loss=0.1237 val_loss=1.2910 time=12.7s tod=17:04
+[finetune] epoch 42/50: train_loss=0.1119 val_loss=1.5262 time=12.5s tod=17:04
+[finetune] epoch 43/50: train_loss=0.1147 val_loss=1.2782 time=12.6s tod=17:04
+[finetune] epoch 44/50: train_loss=0.0989 val_loss=1.2923 time=12.7s tod=17:04
+[finetune] epoch 45/50: train_loss=0.0900 val_loss=1.3757 time=12.8s tod=17:05
+[finetune] epoch 46/50: train_loss=0.0889 val_loss=1.4483 time=12.8s tod=17:05
+[finetune] epoch 47/50: train_loss=0.0858 val_loss=1.3142 time=12.8s tod=17:05
+[finetune] epoch 48/50: train_loss=0.0912 val_loss=1.3258 time=12.7s tod=17:05
+[finetune] epoch 49/50: train_loss=0.0762 val_loss=1.3466 time=12.4s tod=17:05
+[finetune] epoch 50/50: train_loss=0.0681 val_loss=1.3496 time=12.7s tod=17:06
+[finetune] test_metrics: epoch=50 loss=0.7098 mse=0.7796 rmse=0.8829 mae=0.6312
+[finetune] saved checkpoint (best rmse=0.8829): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/freesolv/4zs7c1p0/checkpoint_epoch_050
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=0.7098 mse=0.7796 rmse=0.8829 mae=0.6312
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/freesolv/4zs7c1p0
+[finetune] done in 630.4s
diff --git a/models/finetuned/freesolv/vocab.json b/models/finetuned/freesolv/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/freesolv/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/hiv/config.json b/models/finetuned/hiv/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/hiv/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/hiv/merges.txt b/models/finetuned/hiv/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/hiv/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/hiv/model.pt b/models/finetuned/hiv/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..87b0c30b31733df3b61cb311842030ca0b163d51
--- /dev/null
+++ b/models/finetuned/hiv/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e256d9c1f34dc1d3521586b383cb58b01238a2d5229e4383cb7a0cae792fb7a8
+size 1022855293
diff --git a/models/finetuned/hiv/special_tokens_map.json b/models/finetuned/hiv/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/hiv/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/hiv/tokenizer.json b/models/finetuned/hiv/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/hiv/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 1,
+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 3,
+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 4,
+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
+      "#": 6,
+      "+": 7,
+      "-": 8,
+      ".": 9,
+      "/": 10,
+      "0": 11,
+      "1": 12,
+      "2": 13,
+      "3": 14,
+      "4": 15,
+      "5": 16,
+      "6": 17,
+      "7": 18,
+      "8": 19,
+      "9": 20,
+      "=": 21,
+      "@": 22,
+      "A": 23,
+      "B": 24,
+      "C": 25,
+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/hiv/tokenizer_config.json b/models/finetuned/hiv/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/hiv/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/hiv/vocab.json b/models/finetuned/hiv/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/hiv/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/config.json b/models/finetuned/lipo/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/merges.txt b/models/finetuned/lipo/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/model.pt b/models/finetuned/lipo/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..c85c57aae30f87c843bb1e23ab33d810869532ac
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:33b8625d3f581bd33d28f8191db5208a9932ce7f7a11403cdd343b409fe36e2f
+size 1022843005
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/lipo/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/tokenizer.json b/models/finetuned/lipo/checkpoint_epoch_025/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "single_word": false,
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+    {
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+      "content": "</s>",
+      "single_word": false,
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+    {
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+      "normalized": true,
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+    {
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+      "content": "<mask>",
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+      "lstrip": true,
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+      "normalized": true,
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+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
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+      "-": 8,
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+      "1": 12,
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+      "3": 14,
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+      "=": 21,
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+      "A": 23,
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+      "C": 25,
+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
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+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
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+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/lipo/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/lipo/checkpoint_epoch_025/vocab.json b/models/finetuned/lipo/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/config.json b/models/finetuned/lipo/checkpoint_epoch_050/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/merges.txt b/models/finetuned/lipo/checkpoint_epoch_050/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/model.pt b/models/finetuned/lipo/checkpoint_epoch_050/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..a9132c4814a1423d6bba1195c3634687d83d02cc
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:33bbc6c2499b3aeafd1c0daf364fb68847ff9a7fed370354ca735a2bac4574ff
+size 1022843005
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/special_tokens_map.json b/models/finetuned/lipo/checkpoint_epoch_050/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/tokenizer.json b/models/finetuned/lipo/checkpoint_epoch_050/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
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+    },
+    {
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+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
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+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
+      "#": 6,
+      "+": 7,
+      "-": 8,
+      ".": 9,
+      "/": 10,
+      "0": 11,
+      "1": 12,
+      "2": 13,
+      "3": 14,
+      "4": 15,
+      "5": 16,
+      "6": 17,
+      "7": 18,
+      "8": 19,
+      "9": 20,
+      "=": 21,
+      "@": 22,
+      "A": 23,
+      "B": 24,
+      "C": 25,
+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/tokenizer_config.json b/models/finetuned/lipo/checkpoint_epoch_050/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/lipo/checkpoint_epoch_050/vocab.json b/models/finetuned/lipo/checkpoint_epoch_050/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/lipo/checkpoint_epoch_050/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/lipo/config.json b/models/finetuned/lipo/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/lipo/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/lipo/merges.txt b/models/finetuned/lipo/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/lipo/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/lipo/model.pt b/models/finetuned/lipo/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..a9132c4814a1423d6bba1195c3634687d83d02cc
--- /dev/null
+++ b/models/finetuned/lipo/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:33bbc6c2499b3aeafd1c0daf364fb68847ff9a7fed370354ca735a2bac4574ff
+size 1022843005
diff --git a/models/finetuned/lipo/special_tokens_map.json b/models/finetuned/lipo/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/lipo/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/lipo/tokenizer.json b/models/finetuned/lipo/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/lipo/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 1,
+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 3,
+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 4,
+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
+      "<s>": 1,
+      "</s>": 2,
+      "<pad>": 3,
+      "<mask>": 4,
+      "\n": 5,
+      "#": 6,
+      "+": 7,
+      "-": 8,
+      ".": 9,
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+      "2": 13,
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+      "6": 17,
+      "7": 18,
+      "8": 19,
+      "9": 20,
+      "=": 21,
+      "@": 22,
+      "A": 23,
+      "B": 24,
+      "C": 25,
+      "F": 26,
+      "H": 27,
+      "I": 28,
+      "K": 29,
+      "L": 30,
+      "M": 31,
+      "N": 32,
+      "O": 33,
+      "P": 34,
+      "R": 35,
+      "S": 36,
+      "T": 37,
+      "Z": 38,
+      "\\": 39,
+      "a": 40,
+      "b": 41,
+      "c": 42,
+      "e": 43,
+      "g": 44,
+      "h": 45,
+      "i": 46,
+      "l": 47,
+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
+      "N+1": 83,
+      "\\C": 84,
+      "#N": 85,
+      "/N": 86,
+      "=Ring2": 87,
+      "=S": 88,
+      "=N+1": 89,
+      "\\N": 90,
+      "Na": 91,
+      "Na+1": 92,
+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/lipo/tokenizer_config.json b/models/finetuned/lipo/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/lipo/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/lipo/train_stdout.log b/models/finetuned/lipo/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..acd2e33136a7ff829af04264977e9249e5aaad87
--- /dev/null
+++ b/models/finetuned/lipo/train_stdout.log
@@ -0,0 +1,84 @@
+[finetune] starting
+[finetune] device=cuda task_type=regression batch_size=32 max_len=128 backbone_lr=5e-05 head_lr=0.0005 weight_decay=0.1 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/lipo/lipo.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/lipo/lipo_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=False seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+[finetune] split sizes: train=3,360 val=420 test=420
+[finetune] train modality_non_empty: graph=3,360/3,360 text=1,092/3,360 kg=815/3,360
+[finetune] val   modality_non_empty: graph=420/420 text=126/420 kg=99/420
+[finetune] test  modality_non_empty: graph=420/420 text=134/420 kg=96/420
+[finetune] extracting labels...
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=105 val_steps=14 test_steps=14
+[finetune] initialized head: in_dim=3072 out=1
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=1.0260 val_loss=0.5933 time=37.0s tod=01:20
+[finetune] epoch 2/50: train_loss=0.4242 val_loss=0.5410 time=34.5s tod=01:20
+[finetune] epoch 3/50: train_loss=0.2867 val_loss=0.4757 time=42.7s tod=01:21
+[finetune] epoch 4/50: train_loss=0.2087 val_loss=0.4417 time=41.9s tod=01:22
+[finetune] epoch 5/50: train_loss=0.1613 val_loss=0.4787 time=43.0s tod=01:22
+[finetune] epoch 6/50: train_loss=0.1394 val_loss=0.3972 time=43.0s tod=01:23
+[finetune] epoch 7/50: train_loss=0.1148 val_loss=0.4614 time=42.9s tod=01:24
+[finetune] epoch 8/50: train_loss=0.1038 val_loss=0.4147 time=42.9s tod=01:24
+[finetune] epoch 9/50: train_loss=0.0841 val_loss=0.4036 time=43.1s tod=01:25
+[finetune] epoch 10/50: train_loss=0.0834 val_loss=0.4152 time=42.8s tod=01:26
+[finetune] epoch 11/50: train_loss=0.0781 val_loss=0.4173 time=43.1s tod=01:27
+[finetune] epoch 12/50: train_loss=0.0680 val_loss=0.4063 time=42.2s tod=01:27
+[finetune] epoch 13/50: train_loss=0.0608 val_loss=0.3898 time=42.9s tod=01:28
+[finetune] epoch 14/50: train_loss=0.0573 val_loss=0.3987 time=42.9s tod=01:29
+[finetune] epoch 15/50: train_loss=0.0568 val_loss=0.4186 time=43.0s tod=01:29
+[finetune] epoch 16/50: train_loss=0.0498 val_loss=0.4147 time=43.1s tod=01:30
+[finetune] epoch 17/50: train_loss=0.0471 val_loss=0.4005 time=43.0s tod=01:31
+[finetune] epoch 18/50: train_loss=0.0452 val_loss=0.4167 time=42.8s tod=01:32
+[finetune] epoch 19/50: train_loss=0.0440 val_loss=0.4071 time=42.9s tod=01:32
+[finetune] epoch 20/50: train_loss=0.0386 val_loss=0.4185 time=43.1s tod=01:33
+[finetune] epoch 21/50: train_loss=0.0373 val_loss=0.4106 time=36.2s tod=01:34
+[finetune] epoch 22/50: train_loss=0.0348 val_loss=0.4107 time=34.1s tod=01:34
+[finetune] epoch 23/50: train_loss=0.0337 val_loss=0.3840 time=42.9s tod=01:35
+[finetune] epoch 24/50: train_loss=0.0340 val_loss=0.3960 time=42.8s tod=01:36
+[finetune] epoch 25/50: train_loss=0.0304 val_loss=0.3962 time=42.8s tod=01:36
+[finetune] test_metrics: epoch=25 loss=0.3360 mse=0.3397 rmse=0.5828 mae=0.4434
+[finetune] saved checkpoint (best rmse=0.5828): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/lipo/ejiyn98r/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=0.0285 val_loss=0.3949 time=42.7s tod=01:37
+[finetune] epoch 27/50: train_loss=0.0268 val_loss=0.4015 time=43.0s tod=01:38
+[finetune] epoch 28/50: train_loss=0.0247 val_loss=0.3962 time=42.7s tod=01:39
+[finetune] epoch 29/50: train_loss=0.0252 val_loss=0.4017 time=42.8s tod=01:39
+[finetune] epoch 30/50: train_loss=0.0270 val_loss=0.3894 time=42.9s tod=01:40
+[finetune] epoch 31/50: train_loss=0.0240 val_loss=0.3859 time=42.0s tod=01:41
+[finetune] epoch 32/50: train_loss=0.0222 val_loss=0.3969 time=42.8s tod=01:41
+[finetune] epoch 33/50: train_loss=0.0228 val_loss=0.3901 time=42.8s tod=01:42
+[finetune] epoch 34/50: train_loss=0.0218 val_loss=0.3887 time=42.8s tod=01:43
+[finetune] epoch 35/50: train_loss=0.0197 val_loss=0.3904 time=42.9s tod=01:44
+[finetune] epoch 36/50: train_loss=0.0197 val_loss=0.4033 time=42.8s tod=01:44
+[finetune] epoch 37/50: train_loss=0.0179 val_loss=0.4006 time=43.0s tod=01:45
+[finetune] epoch 38/50: train_loss=0.0180 val_loss=0.4014 time=42.8s tod=01:46
+[finetune] epoch 39/50: train_loss=0.0173 val_loss=0.3929 time=38.0s tod=01:46
+[finetune] epoch 40/50: train_loss=0.0156 val_loss=0.3943 time=32.6s tod=01:47
+[finetune] epoch 41/50: train_loss=0.0156 val_loss=0.3950 time=35.6s tod=01:47
+[finetune] epoch 42/50: train_loss=0.0150 val_loss=0.3858 time=37.5s tod=01:48
+[finetune] epoch 43/50: train_loss=0.0142 val_loss=0.3958 time=44.4s tod=01:49
+[finetune] epoch 44/50: train_loss=0.0142 val_loss=0.3989 time=44.4s tod=01:50
+[finetune] epoch 45/50: train_loss=0.0136 val_loss=0.3931 time=44.3s tod=01:50
+[finetune] epoch 46/50: train_loss=0.0129 val_loss=0.3934 time=44.4s tod=01:51
+[finetune] epoch 47/50: train_loss=0.0132 val_loss=0.3925 time=44.4s tod=01:52
+[finetune] epoch 48/50: train_loss=0.0127 val_loss=0.3911 time=44.2s tod=01:53
+[finetune] epoch 49/50: train_loss=0.0121 val_loss=0.3897 time=44.4s tod=01:53
+[finetune] epoch 50/50: train_loss=0.0120 val_loss=0.3900 time=44.5s tod=01:54
+[finetune] test_metrics: epoch=50 loss=0.3241 mse=0.3293 rmse=0.5739 mae=0.4349
+[finetune] saved checkpoint (best rmse=0.5739): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/lipo/ejiyn98r/checkpoint_epoch_050
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=0.3241 mse=0.3293 rmse=0.5739 mae=0.4349
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/lipo/ejiyn98r
+[finetune] done in 2114.9s
diff --git a/models/finetuned/lipo/vocab.json b/models/finetuned/lipo/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/lipo/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/config.json b/models/finetuned/pdbbind_full/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/merges.txt b/models/finetuned/pdbbind_full/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/model.pt b/models/finetuned/pdbbind_full/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..00970a4febd336802d0db95d26f86cfeb77f132d
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b390d86637786c1060a0963c402b0a74ee166e2a13fb442fd27770f9d91fbe52
+size 1022843005
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/pdbbind_full/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
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+}
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/tokenizer.json b/models/finetuned/pdbbind_full/checkpoint_epoch_025/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/tokenizer.json
@@ -0,0 +1,909 @@
+{
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+      "NH0": 385,
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+      "Se-2": 400,
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+      "Mg+1": 410,
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+      "131I-1": 415,
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+      "22Na+1": 420,
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+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
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+      "a n",
+      "c h",
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+      "Bran ch",
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+      "= C",
+      "R i",
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+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
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+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/pdbbind_full/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/pdbbind_full/checkpoint_epoch_025/vocab.json b/models/finetuned/pdbbind_full/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/pdbbind_full/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/pdbbind_full/config.json b/models/finetuned/pdbbind_full/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/pdbbind_full/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/pdbbind_full/merges.txt b/models/finetuned/pdbbind_full/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/pdbbind_full/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/pdbbind_full/model.pt b/models/finetuned/pdbbind_full/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..102758e7a8d32d3985000cd9969676e9d113b026
--- /dev/null
+++ b/models/finetuned/pdbbind_full/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:8b8dedbde23c4e767ffd787e61ccb7516e88bdd94c2071c2bb06be3f09a83125
+size 1022843005
diff --git a/models/finetuned/pdbbind_full/special_tokens_map.json b/models/finetuned/pdbbind_full/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/pdbbind_full/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/pdbbind_full/tokenizer.json b/models/finetuned/pdbbind_full/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/pdbbind_full/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "</s>",
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+    },
+    {
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+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
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+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      1
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
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+      "85Sr+2": 327,
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+      "B@@": 332,
+      "B@-1": 333,
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+      "KH1": 337,
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+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
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+      "Zn+1": 354,
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+      "Al-3": 356,
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+      "15N": 358,
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+      "B@@-1": 360,
+      "#P": 361,
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+      "-4": 363,
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+      "/As": 366,
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+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
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+      "89": 378,
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+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
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+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
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+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/pdbbind_full/tokenizer_config.json b/models/finetuned/pdbbind_full/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/pdbbind_full/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/pdbbind_full/train_stdout.log b/models/finetuned/pdbbind_full/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..311f4ebdcdfc122bcb5a7fd77c685c4193f4a7b6
--- /dev/null
+++ b/models/finetuned/pdbbind_full/train_stdout.log
@@ -0,0 +1,84 @@
+[finetune] starting
+[finetune] device=cuda task_type=regression batch_size=32 max_len=128 backbone_lr=1e-05 head_lr=1e-06 weight_decay=0.001 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/pdbbind_full/pdbbind_full.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/regression/pdbbind_full/pdbbind_full_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=False seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+[finetune] split sizes: train=7,904 val=988 test=988
+[finetune] train modality_non_empty: graph=7,897/7,904 text=1,871/7,904 kg=388/7,904
+[finetune] val   modality_non_empty: graph=988/988 text=231/988 kg=57/988
+[finetune] test  modality_non_empty: graph=986/988 text=236/988 kg=45/988
+[finetune] extracting labels...
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=247 val_steps=31 test_steps=31
+[finetune] initialized head: in_dim=3072 out=1
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=5.5868 val_loss=2.2110 time=37.0s tod=10:21
+[finetune] epoch 2/50: train_loss=1.9830 val_loss=2.1185 time=36.5s tod=10:21
+[finetune] epoch 3/50: train_loss=1.8369 val_loss=1.9493 time=36.5s tod=10:22
+[finetune] epoch 4/50: train_loss=1.6677 val_loss=1.8721 time=36.5s tod=10:22
+[finetune] epoch 5/50: train_loss=1.5533 val_loss=1.9191 time=36.4s tod=10:23
+[finetune] epoch 6/50: train_loss=1.4599 val_loss=1.8973 time=36.5s tod=10:24
+[finetune] epoch 7/50: train_loss=1.3654 val_loss=1.8004 time=36.2s tod=10:24
+[finetune] epoch 8/50: train_loss=1.2898 val_loss=1.7818 time=36.5s tod=10:25
+[finetune] epoch 9/50: train_loss=1.2106 val_loss=1.9329 time=36.5s tod=10:25
+[finetune] epoch 10/50: train_loss=1.1396 val_loss=1.8307 time=36.5s tod=10:26
+[finetune] epoch 11/50: train_loss=1.0760 val_loss=1.8189 time=36.7s tod=10:27
+[finetune] epoch 12/50: train_loss=1.0274 val_loss=1.9702 time=36.3s tod=10:27
+[finetune] epoch 13/50: train_loss=0.9712 val_loss=1.7947 time=36.6s tod=10:28
+[finetune] epoch 14/50: train_loss=0.9133 val_loss=1.7824 time=36.5s tod=10:29
+[finetune] epoch 15/50: train_loss=0.8634 val_loss=1.8319 time=36.2s tod=10:29
+[finetune] epoch 16/50: train_loss=0.8148 val_loss=1.9180 time=36.5s tod=10:30
+[finetune] epoch 17/50: train_loss=0.7857 val_loss=1.9476 time=36.5s tod=10:30
+[finetune] epoch 18/50: train_loss=0.7387 val_loss=1.8473 time=36.6s tod=10:31
+[finetune] epoch 19/50: train_loss=0.6946 val_loss=1.8302 time=36.6s tod=10:32
+[finetune] epoch 20/50: train_loss=0.6552 val_loss=1.8975 time=36.6s tod=10:32
+[finetune] epoch 21/50: train_loss=0.6345 val_loss=1.8368 time=36.4s tod=10:33
+[finetune] epoch 22/50: train_loss=0.6189 val_loss=1.9089 time=36.4s tod=10:33
+[finetune] epoch 23/50: train_loss=0.5669 val_loss=1.9858 time=36.5s tod=10:34
+[finetune] epoch 24/50: train_loss=0.5540 val_loss=1.9184 time=36.4s tod=10:35
+[finetune] epoch 25/50: train_loss=0.5332 val_loss=1.8838 time=36.6s tod=10:35
+[finetune] test_metrics: epoch=25 loss=1.7602 mse=1.7634 rmse=1.3279 mae=1.0330
+[finetune] saved checkpoint (best rmse=1.3279): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/pdbbind_full/ntqfan0j/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=0.5093 val_loss=1.8506 time=36.6s tod=10:36
+[finetune] epoch 27/50: train_loss=0.4882 val_loss=1.8703 time=36.6s tod=10:37
+[finetune] epoch 28/50: train_loss=0.4750 val_loss=1.9481 time=36.7s tod=10:37
+[finetune] epoch 29/50: train_loss=0.4604 val_loss=1.9254 time=36.3s tod=10:38
+[finetune] epoch 30/50: train_loss=0.4280 val_loss=1.9441 time=36.4s tod=10:38
+[finetune] epoch 31/50: train_loss=0.4231 val_loss=1.9181 time=36.6s tod=10:39
+[finetune] epoch 32/50: train_loss=0.4140 val_loss=1.9401 time=36.6s tod=10:40
+[finetune] epoch 33/50: train_loss=0.3994 val_loss=1.8978 time=36.4s tod=10:40
+[finetune] epoch 34/50: train_loss=0.3918 val_loss=2.0566 time=36.4s tod=10:41
+[finetune] epoch 35/50: train_loss=0.3855 val_loss=1.9523 time=36.4s tod=10:41
+[finetune] epoch 36/50: train_loss=0.3770 val_loss=1.9759 time=36.6s tod=10:42
+[finetune] epoch 37/50: train_loss=0.3655 val_loss=1.9533 time=36.5s tod=10:43
+[finetune] epoch 38/50: train_loss=0.3534 val_loss=1.9834 time=36.6s tod=10:43
+[finetune] epoch 39/50: train_loss=0.3458 val_loss=2.0582 time=36.7s tod=10:44
+[finetune] epoch 40/50: train_loss=0.3442 val_loss=1.9665 time=36.6s tod=10:44
+[finetune] epoch 41/50: train_loss=0.3312 val_loss=1.9377 time=36.5s tod=10:45
+[finetune] epoch 42/50: train_loss=0.3235 val_loss=1.9249 time=36.7s tod=10:46
+[finetune] epoch 43/50: train_loss=0.3167 val_loss=1.9429 time=36.5s tod=10:46
+[finetune] epoch 44/50: train_loss=0.3108 val_loss=1.9271 time=36.5s tod=10:47
+[finetune] epoch 45/50: train_loss=0.3076 val_loss=1.9263 time=36.5s tod=10:47
+[finetune] epoch 46/50: train_loss=0.2961 val_loss=1.9143 time=36.6s tod=10:48
+[finetune] epoch 47/50: train_loss=0.2949 val_loss=1.9215 time=36.5s tod=10:49
+[finetune] epoch 48/50: train_loss=0.2856 val_loss=1.9664 time=36.5s tod=10:49
+[finetune] epoch 49/50: train_loss=0.2852 val_loss=1.9501 time=36.3s tod=10:50
+[finetune] epoch 50/50: train_loss=0.2774 val_loss=1.9502 time=36.4s tod=10:51
+[finetune] test_metrics: epoch=50 loss=1.8280 mse=1.8309 rmse=1.3531 mae=1.0394
+[finetune] checkpoint skipped (current rmse=1.3531 vs best=1.3279 at epoch 25)
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=1.8280 mse=1.8309 rmse=1.3531 mae=1.0394
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/pdbbind_full/ntqfan0j
+[finetune] done in 1839.9s
diff --git a/models/finetuned/pdbbind_full/vocab.json b/models/finetuned/pdbbind_full/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/pdbbind_full/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/sider/checkpoint_epoch_025/config.json b/models/finetuned/sider/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/sider/checkpoint_epoch_025/merges.txt b/models/finetuned/sider/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/sider/checkpoint_epoch_025/model.pt b/models/finetuned/sider/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..313881dbf9033030494b20f9d155e81d369caf12
--- /dev/null
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@@ -0,0 +1,3 @@
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+size 1023174845
diff --git a/models/finetuned/sider/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/sider/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
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new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_025/tokenizer.json
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+      "Cs": 274,
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+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
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+      "Bi": 284,
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+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
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+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
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+      "-3": 321,
+      "22": 322,
+      "4H": 323,
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+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
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+      "18F-1": 350,
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+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/sider/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/sider/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/sider/checkpoint_epoch_025/vocab.json b/models/finetuned/sider/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/sider/checkpoint_epoch_050/config.json b/models/finetuned/sider/checkpoint_epoch_050/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/sider/checkpoint_epoch_050/merges.txt b/models/finetuned/sider/checkpoint_epoch_050/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/sider/checkpoint_epoch_050/model.pt b/models/finetuned/sider/checkpoint_epoch_050/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..d5262ada0a1773d2f5142c00c258de47e32fbb41
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/model.pt
@@ -0,0 +1,3 @@
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+size 1023174845
diff --git a/models/finetuned/sider/checkpoint_epoch_050/special_tokens_map.json b/models/finetuned/sider/checkpoint_epoch_050/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/special_tokens_map.json
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new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/tokenizer.json
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+      "S-2": 311,
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+      "@-1": 330,
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+      "B@@": 332,
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+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/sider/checkpoint_epoch_050/tokenizer_config.json b/models/finetuned/sider/checkpoint_epoch_050/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/sider/checkpoint_epoch_050/vocab.json b/models/finetuned/sider/checkpoint_epoch_050/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/sider/checkpoint_epoch_050/vocab.json
@@ -0,0 +1 @@
+{"<unk>":0,"<s>":1,"</s>":2,"<pad>":3,"<mask>":4,"\n":5,"#":6,"+":7,"-":8,".":9,"/":10,"0":11,"1":12,"2":13,"3":14,"4":15,"5":16,"6":17,"7":18,"8":19,"9":20,"=":21,"@":22,"A":23,"B":24,"C":25,"F":26,"H":27,"I":28,"K":29,"L":30,"M":31,"N":32,"O":33,"P":34,"R":35,"S":36,"T":37,"Z":38,"\\":39,"a":40,"b":41,"c":42,"e":43,"g":44,"h":45,"i":46,"l":47,"n":48,"r":49,"s":50,"Br":51,"an":52,"ch":53,"Bran":54,"Branch":55,"Branch1":56,"=C":57,"Ri":58,"ng":59,"Ring":60,"Ring1":61,"=Branch1":62,"Branch2":63,"=O":64,"Ring2":65,"H1":66,"C@":67,"=N":68,"#Branch1":69,"C@@":70,"=Branch2":71,"C@H1":72,"C@@H1":73,"#Branch2":74,"#C":75,"Cl":76,"/C":77,"NH1":78,"=Ring1":79,"+1":80,"-1":81,"O-1":82,"N+1":83,"\\C":84,"#N":85,"/N":86,"=Ring2":87,"=S":88,"=N+1":89,"\\N":90,"Na":91,"Na+1":92,"/O":93,"\\O":94,"Br-1":95,"Branch3":96,"\\S":97,"S+1":98,"Cl-1":99,"I-1":100,"/C@@H1":101,"Si":102,"/C@H1":103,"/S":104,"=N-1":105,"Se":106,"=P":107,"N-1":108,"Ring3":109,"2H":110,"P+1":111,"K+1":112,"\\C@@H1":113,"\\C@H1":114,"/N+1":115,"@@":116,"C-1":117,"#N+1":118,"B-1":119,"+3":120,"Cl+3":121,"\\NH1":122,"Li":123,"Li+1":124,"PH1":125,"18":126,"18F":127,"@+1":128,"3H":129,"P@@":130,"H0":131,"OH0":132,"12":133,"P@":134,"+2":135,"@@+1":136,"S-1":137,"/Br":138,"-/":139,"\\Cl":140,"-/Ring2":141,"\\O-1":142,"11":143,"5I":144,"125I":145,"11C":146,"H3":147,"\\N+1":148,"-\\":149,"/C@@":150,"S@+1":151,"As":152,"/Cl":153,"11CH3":154,"=Se":155,"S@@+1":156,"N@+1":157,"14":158,"-\\Ring2":159,"14C":160,"\\F":161,"/C@":162,"Te":163,"H2":164,"H1-1":165,"=O+1":166,"N@@+1":167,"C+1":168,"=S+1":169,"Zn":170,"/P":171,"a+2":172,"/I":173,"OH1-1":174,"Ca+2":175,"\\Br":176,"Mg":177,"Zn+2":178,"Al":179,"/F":180,"Mg+2":181,"123":182,"123I":183,"13":184,"I+1":185,"/O-1":186,"-\\Ring1":187,"BH2":188,"BH2-1":189,"\\I":190,"/NH1":191,"O+1":192,"131":193,"131I":194,"=14C":195,"/S+1":196,"=Ring3":197,"\\C@@":198,"H2+1":199,"\\C@":200,"Ag":201,"=As":202,"=Se+1":203,"NH2+1":204,"SeH1":205,"-/Ring1":206,"=Te":207,"Al+3":208,"NaH1":209,"=Te+1":210,"NH1+1":211,"Ag+1":212,"H1+1":213,"NH1-1":214,"\\P":215,"14CH2":216,"13C":217,"14CH1":218,"=11C":219,"S@@":220,"=P@@":221,"SiH2":222,"H3-1":223,"14CH3":224,"BH3-1":225,"S@":226,"=14CH1":227,"=PH1":228,"=P@":229,"=NH1+1":230,"\\S+1":231,"124":232,"CH1-1":233,"Sr":234,"=Si":235,"124I":236,"Sr+2":237,"#C-1":238,"/C-1":239,"N@":240,"/N-1":241,"13CH1":242,"/B":243,"19":244,"Ba+2":245,"H4":246,"SH1+1":247,"Se+1":248,"19F":249,"/125I":250,"P@+1":251,"Rb":252,"Cl+1":253,"SiH4":254,"Rb+1":255,"=Branch3":256,"N@@":257,"As+1":258,"/Si":259,"BH1-1":260,"SH1":261,"/123I":262,"32":263,"=Mg":264,"H+1":265,"\\B":266,"SiH1":267,"P@@+1":268,"-2":269,"15":270,"17":271,"35":272,"=13CH1":273,"Cs":274,"=NH2+1":275,"=SH1":276,"MgH2":277,"32P":278,"17F":279,"35S":280,"Cs+1":281,"#11C":282,"/131I":283,"Bi":284,"\\125I":285,"=S@@":286,"\\S-1":287,"6Br":288,"7I":289,"76Br":290,"=B":291,"eH1":292,"\\N-1":293,"18O":294,"127I":295,"11CH2":296,"14C@@H1":297,"TeH2":298,"15NH1":299,"Bi+3":300,"/P+1":301,"/13C":302,"/13CH1":303,"0B":304,"10B":305,"=Al":306,"=18O":307,"BH0":308,"F-1":309,"NH3":310,"S-2":311,"Br+2":312,"Cl+2":313,"\\Si":314,"/S-1":315,"=PH2":316,"14C@H1":317,"NH3+1":318,"#14C":319,"#O+1":320,"-3":321,"22":322,"4H":323,"5Se":324,"5Sr+2":325,"75Se":326,"85Sr+2":327,"=B-1":328,"=13C":329,"@-1":330,"Be":331,"B@@":332,"B@-1":333,"Ca":334,"CH1":335,"I+3":336,"KH1":337,"OH1+1":338,"Ra+2":339,"SH1-1":340,"\\PH1":341,"\\123I":342,"=Ca":343,"\\CH1-1":344,"=S@":345,"\\SeH1":346,"/SeH1":347,"Se-1":348,"LiH1":349,"18F-1":350,"125IH1":351,"11CH1":352,"TeH1":353,"Zn+1":354,"Zn-2":355,"Al-3":356,"13CH3":357,"15N":358,"Be+2":359,"B@@-1":360,"#P":361,"#S":362,"-4":363,"/PH1":364,"/P@@":365,"/As":366,"/14C":367,"/14CH1":368,"2K+1":369,"2Rb+1":370,"3Se":371,"3Ra+2":372,"45":373,"47":374,"42K+1":375,"5I-1":376,"73Se":377,"89":378,"82Rb+1":379,"=32":380,"=32P":381,"CH0":382,"CH2":383,"I+2":384,"NH0":385,"NH4":386,"OH1":387,"PH2+1":388,"SH0":389,"SH2":390,"\\3H":391,"\\11CH3":392,"\\C-1":393,"\\Se":394,"Si@":395,"Si-1":396,"SiH1-1":397,"SiH3-1":398,"/Se":399,"Se-2":400,"\\NH1-1":401,"18FH1":402,"125I-1":403,"11C@@H1":404,"11C-1":405,"AsH1":406,"As-1":407,"14C@@":408,"Te-1":409,"Mg+1":410,"123I-1":411,"123Te":412,"123IH1":413,"135I":414,"131I-1":415,"Ag-4":416,"124I-1":417,"76BrH1":418,"18OH1":419,"22Na+1":420,"223Ra+2":421,"CaH2":422,"45Ca+2":423,"47Ca+2":424,"89Sr+2":425,"=32PH1":426,"NH4+1":427}
\ No newline at end of file
diff --git a/models/finetuned/sider/config.json b/models/finetuned/sider/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/sider/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/sider/merges.txt b/models/finetuned/sider/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/sider/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/sider/model.pt b/models/finetuned/sider/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..d5262ada0a1773d2f5142c00c258de47e32fbb41
--- /dev/null
+++ b/models/finetuned/sider/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:da1c7d30cd890211ba9b7db75d9c59a4b465aa3ca4e8de458cad8b54e2af215d
+size 1023174845
diff --git a/models/finetuned/sider/special_tokens_map.json b/models/finetuned/sider/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/sider/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
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+    "normalized": true,
+    "rstrip": false,
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+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/sider/tokenizer.json b/models/finetuned/sider/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/sider/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
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+    "pad_id": 3,
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+    "use_regex": true
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+    "add_prefix_space": true,
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+    "use_regex": true
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+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
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+      "h": 45,
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+      "l": 47,
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+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
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+      "NH1": 78,
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+      "-1": 81,
+      "O-1": 82,
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+      "+3": 120,
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+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
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+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
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+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
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+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
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+      "Be+2": 359,
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+      "-4": 363,
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+      "/P@@": 365,
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+      "/14C": 367,
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+      "2Rb+1": 370,
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+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
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+      "CH2": 383,
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+      "NH4": 386,
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+      "SH0": 389,
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+      "\\3H": 391,
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+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
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+      "Se-2": 400,
+      "\\NH1-1": 401,
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+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
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+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
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+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
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+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
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+      "= Branch1",
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+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
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+      "# C",
+      "C l",
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+      "+ 1",
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+      "O -1",
+      "N +1",
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+      "# N",
+      "/ N",
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+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
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+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
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+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
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+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
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+      "\\ O-1",
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+      "5 I",
+      "12 5I",
+      "11 C",
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+      "\\ N+1",
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+      "/ C@@",
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+      "N @+1",
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+      "-\\ Ring2",
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+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/sider/tokenizer_config.json b/models/finetuned/sider/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/sider/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/sider/train_stdout.log b/models/finetuned/sider/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..a523764f132bdef6e1ba601f9f150225da05096f
--- /dev/null
+++ b/models/finetuned/sider/train_stdout.log
@@ -0,0 +1,86 @@
+[finetune] starting
+[finetune] device=cuda task_type=multilabel batch_size=16 max_len=128 backbone_lr=1e-05 head_lr=0.0005 weight_decay=0.001 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/sider/sider.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/sider/sider_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=False seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+[finetune] split sizes: train=1,141 val=143 test=143
+[finetune] train modality_non_empty: graph=1,040/1,141 text=922/1,141 kg=24/1,141
+[finetune] val   modality_non_empty: graph=132/143 text=115/143 kg=2/143
+[finetune] test  modality_non_empty: graph=127/143 text=114/143 kg=1/143
+[finetune] extracting labels...
+[finetune] multilabel: num_labels_in_csv=28
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=72 val_steps=9 test_steps=9
+[finetune] overriding --num_labels=1 with num_labels_in_csv=28
+[finetune] initialized head: in_dim=3072 out=28
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=-2463.0879 val_loss=-8632.9700 time=19.9s tod=04:59
+[finetune] epoch 2/50: train_loss=-29240.3907 val_loss=-28515.0196 time=19.6s tod=04:59
+[finetune] epoch 3/50: train_loss=-56493.8012 val_loss=-42786.8129 time=19.4s tod=05:00
+[finetune] epoch 4/50: train_loss=-78403.9442 val_loss=-54933.7142 time=17.1s tod=05:00
+[finetune] epoch 5/50: train_loss=-98390.0560 val_loss=-61163.0579 time=13.3s tod=05:00
+[finetune] epoch 6/50: train_loss=-73340.5962 val_loss=-70785.7020 time=13.2s tod=05:01
+[finetune] epoch 7/50: train_loss=-102700.5125 val_loss=-16367.9551 time=16.9s tod=05:01
+[finetune] epoch 8/50: train_loss=-75565.5855 val_loss=-87597.7900 time=19.6s tod=05:01
+[finetune] epoch 9/50: train_loss=-101224.8124 val_loss=-56896.3166 time=19.6s tod=05:01
+[finetune] epoch 10/50: train_loss=-100191.3469 val_loss=-102080.0145 time=19.4s tod=05:02
+[finetune] epoch 11/50: train_loss=-141172.0164 val_loss=-109301.1324 time=19.6s tod=05:02
+[finetune] epoch 12/50: train_loss=-169078.9591 val_loss=-37835.9162 time=19.6s tod=05:02
+[finetune] epoch 13/50: train_loss=-96474.2053 val_loss=-30286.5900 time=19.5s tod=05:03
+[finetune] epoch 14/50: train_loss=-105256.3000 val_loss=-35972.5983 time=19.6s tod=05:03
+[finetune] epoch 15/50: train_loss=-178900.2351 val_loss=-37852.0637 time=19.7s tod=05:03
+[finetune] epoch 16/50: train_loss=-186680.4031 val_loss=-37577.4352 time=19.5s tod=05:04
+[finetune] epoch 17/50: train_loss=-195649.4959 val_loss=-90268.9497 time=19.5s tod=05:04
+[finetune] epoch 18/50: train_loss=-220532.2620 val_loss=-46100.1349 time=19.6s tod=05:04
+[finetune] epoch 19/50: train_loss=-246434.8544 val_loss=-46121.6348 time=19.6s tod=05:05
+[finetune] epoch 20/50: train_loss=-250533.9357 val_loss=-44846.5984 time=19.6s tod=05:05
+[finetune] epoch 21/50: train_loss=-269410.9093 val_loss=-48019.9503 time=19.6s tod=05:05
+[finetune] epoch 22/50: train_loss=-313211.1312 val_loss=-75566.5165 time=19.5s tod=05:06
+[finetune] epoch 23/50: train_loss=-327284.1272 val_loss=-58031.5497 time=19.5s tod=05:06
+[finetune] epoch 24/50: train_loss=-352373.0084 val_loss=-57549.3987 time=19.6s tod=05:06
+[finetune] epoch 25/50: train_loss=-364050.6847 val_loss=-54414.9680 time=18.6s tod=05:07
+[finetune] test_metrics: epoch=25 loss=-88607.4092 accuracy=0.7391 precision=0.7331 recall=0.8057 f1=0.7677 roc-auc=0.7350 prc-auc=0.7070
+[finetune] saved checkpoint (best roc-auc=0.7350): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/sider/ew0k1kqo/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=-385099.2705 val_loss=-54985.2346 time=19.4s tod=05:07
+[finetune] epoch 27/50: train_loss=-399822.8386 val_loss=-56467.5216 time=19.7s tod=05:07
+[finetune] epoch 28/50: train_loss=-415828.3384 val_loss=-52419.7444 time=19.5s tod=05:08
+[finetune] epoch 29/50: train_loss=-431865.9807 val_loss=-62103.1590 time=19.5s tod=05:08
+[finetune] epoch 30/50: train_loss=-447456.9427 val_loss=-56188.3156 time=19.6s tod=05:08
+[finetune] epoch 31/50: train_loss=-462273.6884 val_loss=-54661.3517 time=19.5s tod=05:09
+[finetune] epoch 32/50: train_loss=-508797.7937 val_loss=-60571.6111 time=18.8s tod=05:09
+[finetune] epoch 33/50: train_loss=-485794.6108 val_loss=-74456.0105 time=19.6s tod=05:09
+[finetune] epoch 34/50: train_loss=-497895.8270 val_loss=-72051.5103 time=19.5s tod=05:10
+[finetune] epoch 35/50: train_loss=-506471.9879 val_loss=-82966.3256 time=19.5s tod=05:10
+[finetune] epoch 36/50: train_loss=-516857.2304 val_loss=-65550.5172 time=19.6s tod=05:10
+[finetune] epoch 37/50: train_loss=-528256.5853 val_loss=-76332.1525 time=19.5s tod=05:11
+[finetune] epoch 38/50: train_loss=-536697.0948 val_loss=-67379.6054 time=19.6s tod=05:11
+[finetune] epoch 39/50: train_loss=-543221.3290 val_loss=-59524.8871 time=19.6s tod=05:11
+[finetune] epoch 40/50: train_loss=-560865.7400 val_loss=-71147.7508 time=19.5s tod=05:12
+[finetune] epoch 41/50: train_loss=-558859.0678 val_loss=-67798.4771 time=19.5s tod=05:12
+[finetune] epoch 42/50: train_loss=-564936.8555 val_loss=-82237.9927 time=19.5s tod=05:12
+[finetune] epoch 43/50: train_loss=-593958.3045 val_loss=-71737.9733 time=19.5s tod=05:13
+[finetune] epoch 44/50: train_loss=-649648.8877 val_loss=-73129.3121 time=19.6s tod=05:13
+[finetune] epoch 45/50: train_loss=-579354.1524 val_loss=-65233.4437 time=19.6s tod=05:13
+[finetune] epoch 46/50: train_loss=-583970.5857 val_loss=-69687.3034 time=19.5s tod=05:14
+[finetune] epoch 47/50: train_loss=-624626.7817 val_loss=-71989.2865 time=19.5s tod=05:14
+[finetune] epoch 48/50: train_loss=-586496.3253 val_loss=-69742.6843 time=19.6s tod=05:14
+[finetune] epoch 49/50: train_loss=-587622.2958 val_loss=-71131.1176 time=19.5s tod=05:15
+[finetune] epoch 50/50: train_loss=-616375.0225 val_loss=-70154.7495 time=19.5s tod=05:15
+[finetune] test_metrics: epoch=50 loss=-121892.1985 accuracy=0.7541 precision=0.7395 recall=0.8342 f1=0.7840 roc-auc=0.7490 prc-auc=0.7221
+[finetune] saved checkpoint (best roc-auc=0.7490): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/sider/ew0k1kqo/checkpoint_epoch_050
+[finetune] final evaluation on test split...
+[finetune] test_metrics: loss=-121892.1985 accuracy=0.7541 precision=0.7395 recall=0.8342 f1=0.7840 roc-auc=0.7490 prc-auc=0.7221
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/sider/ew0k1kqo
+[finetune] done in 971.3s
diff --git a/models/finetuned/sider/vocab.json b/models/finetuned/sider/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/sider/vocab.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/config.json b/models/finetuned/tox21/checkpoint_epoch_025/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/merges.txt b/models/finetuned/tox21/checkpoint_epoch_025/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
+T e
+H 2
+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/model.pt b/models/finetuned/tox21/checkpoint_epoch_025/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..9544fcb372d96d972f4eb8cf9ce4968d35835faf
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e25cbe3f5881ab600c4db1295a97d3e859cc4562fbcb45000ab3dab8af84186f
+size 1022990461
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/special_tokens_map.json b/models/finetuned/tox21/checkpoint_epoch_025/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/tokenizer.json b/models/finetuned/tox21/checkpoint_epoch_025/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
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+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
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+  "normalizer": null,
+  "pre_tokenizer": {
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+    "add_prefix_space": false,
+    "trim_offsets": true,
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+      2
+    ],
+    "cls": [
+      "<s>",
+      1
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+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
+      "<unk>": 0,
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+      "H": 27,
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+      "R": 35,
+      "S": 36,
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+      "Z": 38,
+      "\\": 39,
+      "a": 40,
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+      "c": 42,
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+      "g": 44,
+      "h": 45,
+      "i": 46,
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+      "n": 48,
+      "r": 49,
+      "s": 50,
+      "Br": 51,
+      "an": 52,
+      "ch": 53,
+      "Bran": 54,
+      "Branch": 55,
+      "Branch1": 56,
+      "=C": 57,
+      "Ri": 58,
+      "ng": 59,
+      "Ring": 60,
+      "Ring1": 61,
+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
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+      "/O": 93,
+      "\\O": 94,
+      "Br-1": 95,
+      "Branch3": 96,
+      "\\S": 97,
+      "S+1": 98,
+      "Cl-1": 99,
+      "I-1": 100,
+      "/C@@H1": 101,
+      "Si": 102,
+      "/C@H1": 103,
+      "/S": 104,
+      "=N-1": 105,
+      "Se": 106,
+      "=P": 107,
+      "N-1": 108,
+      "Ring3": 109,
+      "2H": 110,
+      "P+1": 111,
+      "K+1": 112,
+      "\\C@@H1": 113,
+      "\\C@H1": 114,
+      "/N+1": 115,
+      "@@": 116,
+      "C-1": 117,
+      "#N+1": 118,
+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/tokenizer_config.json b/models/finetuned/tox21/checkpoint_epoch_025/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/tox21/checkpoint_epoch_025/vocab.json b/models/finetuned/tox21/checkpoint_epoch_025/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/tox21/checkpoint_epoch_025/vocab.json
@@ -0,0 +1 @@
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\ No newline at end of file
diff --git a/models/finetuned/tox21/config.json b/models/finetuned/tox21/config.json
new file mode 100644
index 0000000000000000000000000000000000000000..3811e21539577b37e06313eab31ec11e53f0cbbc
--- /dev/null
+++ b/models/finetuned/tox21/config.json
@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 4,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.26.1",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 800
+}
diff --git a/models/finetuned/tox21/merges.txt b/models/finetuned/tox21/merges.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7cd5ec62809503c23f18c80afc0ba3bdf9d253d0
--- /dev/null
+++ b/models/finetuned/tox21/merges.txt
@@ -0,0 +1,378 @@
+#version: 0.2 - Trained by `huggingface/tokenizers`
+B r
+a n
+c h
+Br an
+Bran ch
+Branch 1
+= C
+R i
+n g
+Ri ng
+Ring 1
+= Branch1
+Branch 2
+= O
+Ring 2
+H 1
+C @
+= N
+# Branch1
+C@ @
+= Branch2
+C@ H1
+C@@ H1
+# Branch2
+# C
+C l
+/ C
+N H1
+= Ring1
++ 1
+- 1
+O -1
+N +1
+\ C
+# N
+/ N
+= Ring2
+= S
+=N +1
+\ N
+N a
+Na +1
+/ O
+\ O
+Br -1
+Branch 3
+\ S
+S +1
+Cl -1
+I -1
+/ C@@H1
+S i
+/ C@H1
+/ S
+=N -1
+S e
+= P
+N -1
+Ring 3
+2 H
+P +1
+K +1
+\ C@@H1
+\ C@H1
+/ N+1
+@ @
+C -1
+# N+1
+B -1
++ 3
+Cl +3
+\ NH1
+L i
+Li +1
+P H1
+1 8
+18 F
+@ +1
+3 H
+P @@
+H 0
+O H0
+1 2
+P @
++ 2
+@@ +1
+S -1
+/ Br
+- /
+\ Cl
+-/ Ring2
+\ O-1
+1 1
+5 I
+12 5I
+11 C
+H 3
+\ N+1
+- \
+/ C@@
+S @+1
+A s
+/ Cl
+11C H3
+=S e
+S @@+1
+N @+1
+1 4
+-\ Ring2
+14 C
+\ F
+/ C@
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+H1 -1
+=O +1
+N @@+1
+C +1
+=S +1
+Z n
+/ P
+a +2
+/ I
+O H1-1
+C a+2
+\ Br
+M g
+Zn +2
+A l
+/ F
+Mg +2
+12 3
+123 I
+1 3
+I +1
+/ O-1
+-\ Ring1
+B H2
+BH2 -1
+\ I
+/ NH1
+O +1
+13 1
+131 I
+= 14C
+/ S+1
+= Ring3
+\ C@@
+H2 +1
+\ C@
+A g
+= As
+=Se +1
+N H2+1
+Se H1
+-/ Ring1
+= Te
+Al +3
+Na H1
+=Te +1
+NH1 +1
+Ag +1
+H1 +1
+NH1 -1
+\ P
+14C H2
+13 C
+14C H1
+= 11C
+S @@
+=P @@
+Si H2
+H3 -1
+14C H3
+B H3-1
+S @
+=14C H1
+=P H1
+=P @
+=N H1+1
+\S +1
+12 4
+C H1-1
+S r
+=S i
+124 I
+Sr +2
+#C -1
+/C -1
+N @
+/N -1
+13C H1
+/ B
+1 9
+B a+2
+H 4
+S H1+1
+Se +1
+19 F
+/ 125I
+P @+1
+R b
+Cl +1
+Si H4
+Rb +1
+= Branch3
+N @@
+As +1
+/ Si
+B H1-1
+S H1
+/ 123I
+3 2
+= Mg
+H +1
+\ B
+Si H1
+P@@ +1
+- 2
+1 5
+1 7
+3 5
+= 13CH1
+C s
+=N H2+1
+=S H1
+Mg H2
+32 P
+17 F
+35 S
+Cs +1
+# 11C
+/ 131I
+B i
+\ 125I
+=S @@
+\S -1
+6 Br
+7 I
+7 6Br
+= B
+e H1
+\N -1
+18 O
+12 7I
+11C H2
+14 C@@H1
+Te H2
+15 NH1
+Bi +3
+/ P+1
+/ 13C
+/ 13CH1
+0 B
+1 0B
+= Al
+= 18O
+B H0
+F -1
+N H3
+S -2
+Br +2
+Cl +2
+\S i
+/S -1
+=P H2
+14 C@H1
+NH3 +1
+# 14C
+# O+1
+- 3
+2 2
+4 H
+5 Se
+5 Sr+2
+7 5Se
+8 5Sr+2
+= B-1
+= 13C
+@ -1
+B e
+B @@
+B @-1
+C a
+C H1
+I +3
+K H1
+O H1+1
+R a+2
+S H1-1
+\ PH1
+\ 123I
+=C a
+\C H1-1
+=S @
+\S eH1
+/S eH1
+Se -1
+Li H1
+18F -1
+125I H1
+11C H1
+Te H1
+Zn +1
+Zn -2
+Al -3
+13C H3
+15 N
+Be +2
+B@@ -1
+# P
+# S
+- 4
+/ PH1
+/ P@@
+/ As
+/ 14C
+/ 14CH1
+2 K+1
+2 Rb+1
+3 Se
+3 Ra+2
+4 5
+4 7
+4 2K+1
+5 I-1
+7 3Se
+8 9
+8 2Rb+1
+= 32
+= 32P
+C H0
+C H2
+I +2
+N H0
+N H4
+O H1
+P H2+1
+S H0
+S H2
+\ 3H
+\ 11CH3
+\C -1
+\S e
+Si @
+Si -1
+Si H1-1
+Si H3-1
+/S e
+Se -2
+\NH1 -1
+18F H1
+12 5I-1
+11 C@@H1
+11 C-1
+As H1
+As -1
+14 C@@
+Te -1
+Mg +1
+123 I-1
+123 Te
+123I H1
+13 5I
+131 I-1
+Ag -4
+124 I-1
+76Br H1
+18O H1
+22 Na+1
+22 3Ra+2
+Ca H2
+45 Ca+2
+47 Ca+2
+89 Sr+2
+=32 PH1
+NH4 +1
diff --git a/models/finetuned/tox21/model.pt b/models/finetuned/tox21/model.pt
new file mode 100644
index 0000000000000000000000000000000000000000..325f6ea1b1d99bc89c07b9206975695cac0ce067
--- /dev/null
+++ b/models/finetuned/tox21/model.pt
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c958fad0f8f2b485c9e2a8839f74fac88eb616d464b69d272613c564a27f2e8b
+size 1022990461
diff --git a/models/finetuned/tox21/special_tokens_map.json b/models/finetuned/tox21/special_tokens_map.json
new file mode 100644
index 0000000000000000000000000000000000000000..06a55849fa69a91e7179d909e373179ff7467d8c
--- /dev/null
+++ b/models/finetuned/tox21/special_tokens_map.json
@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/tox21/tokenizer.json b/models/finetuned/tox21/tokenizer.json
new file mode 100644
index 0000000000000000000000000000000000000000..3b64b273e6fa9799e2d8375722b9e815de9ebb8f
--- /dev/null
+++ b/models/finetuned/tox21/tokenizer.json
@@ -0,0 +1,909 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": {
+      "Fixed": 128
+    },
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 3,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
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+      "single_word": false,
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+      "rstrip": false,
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+      "special": true
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+      "single_word": false,
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+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
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+    ],
+    "cls": [
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+      1
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+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "vocab": {
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+      "M": 31,
+      "N": 32,
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+      "\\": 39,
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+      "h": 45,
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+      "s": 50,
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+      "an": 52,
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+      "Ri": 58,
+      "ng": 59,
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+      "=Branch1": 62,
+      "Branch2": 63,
+      "=O": 64,
+      "Ring2": 65,
+      "H1": 66,
+      "C@": 67,
+      "=N": 68,
+      "#Branch1": 69,
+      "C@@": 70,
+      "=Branch2": 71,
+      "C@H1": 72,
+      "C@@H1": 73,
+      "#Branch2": 74,
+      "#C": 75,
+      "Cl": 76,
+      "/C": 77,
+      "NH1": 78,
+      "=Ring1": 79,
+      "+1": 80,
+      "-1": 81,
+      "O-1": 82,
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+      "/S": 104,
+      "=N-1": 105,
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+      "@@": 116,
+      "C-1": 117,
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+      "B-1": 119,
+      "+3": 120,
+      "Cl+3": 121,
+      "\\NH1": 122,
+      "Li": 123,
+      "Li+1": 124,
+      "PH1": 125,
+      "18": 126,
+      "18F": 127,
+      "@+1": 128,
+      "3H": 129,
+      "P@@": 130,
+      "H0": 131,
+      "OH0": 132,
+      "12": 133,
+      "P@": 134,
+      "+2": 135,
+      "@@+1": 136,
+      "S-1": 137,
+      "/Br": 138,
+      "-/": 139,
+      "\\Cl": 140,
+      "-/Ring2": 141,
+      "\\O-1": 142,
+      "11": 143,
+      "5I": 144,
+      "125I": 145,
+      "11C": 146,
+      "H3": 147,
+      "\\N+1": 148,
+      "-\\": 149,
+      "/C@@": 150,
+      "S@+1": 151,
+      "As": 152,
+      "/Cl": 153,
+      "11CH3": 154,
+      "=Se": 155,
+      "S@@+1": 156,
+      "N@+1": 157,
+      "14": 158,
+      "-\\Ring2": 159,
+      "14C": 160,
+      "\\F": 161,
+      "/C@": 162,
+      "Te": 163,
+      "H2": 164,
+      "H1-1": 165,
+      "=O+1": 166,
+      "N@@+1": 167,
+      "C+1": 168,
+      "=S+1": 169,
+      "Zn": 170,
+      "/P": 171,
+      "a+2": 172,
+      "/I": 173,
+      "OH1-1": 174,
+      "Ca+2": 175,
+      "\\Br": 176,
+      "Mg": 177,
+      "Zn+2": 178,
+      "Al": 179,
+      "/F": 180,
+      "Mg+2": 181,
+      "123": 182,
+      "123I": 183,
+      "13": 184,
+      "I+1": 185,
+      "/O-1": 186,
+      "-\\Ring1": 187,
+      "BH2": 188,
+      "BH2-1": 189,
+      "\\I": 190,
+      "/NH1": 191,
+      "O+1": 192,
+      "131": 193,
+      "131I": 194,
+      "=14C": 195,
+      "/S+1": 196,
+      "=Ring3": 197,
+      "\\C@@": 198,
+      "H2+1": 199,
+      "\\C@": 200,
+      "Ag": 201,
+      "=As": 202,
+      "=Se+1": 203,
+      "NH2+1": 204,
+      "SeH1": 205,
+      "-/Ring1": 206,
+      "=Te": 207,
+      "Al+3": 208,
+      "NaH1": 209,
+      "=Te+1": 210,
+      "NH1+1": 211,
+      "Ag+1": 212,
+      "H1+1": 213,
+      "NH1-1": 214,
+      "\\P": 215,
+      "14CH2": 216,
+      "13C": 217,
+      "14CH1": 218,
+      "=11C": 219,
+      "S@@": 220,
+      "=P@@": 221,
+      "SiH2": 222,
+      "H3-1": 223,
+      "14CH3": 224,
+      "BH3-1": 225,
+      "S@": 226,
+      "=14CH1": 227,
+      "=PH1": 228,
+      "=P@": 229,
+      "=NH1+1": 230,
+      "\\S+1": 231,
+      "124": 232,
+      "CH1-1": 233,
+      "Sr": 234,
+      "=Si": 235,
+      "124I": 236,
+      "Sr+2": 237,
+      "#C-1": 238,
+      "/C-1": 239,
+      "N@": 240,
+      "/N-1": 241,
+      "13CH1": 242,
+      "/B": 243,
+      "19": 244,
+      "Ba+2": 245,
+      "H4": 246,
+      "SH1+1": 247,
+      "Se+1": 248,
+      "19F": 249,
+      "/125I": 250,
+      "P@+1": 251,
+      "Rb": 252,
+      "Cl+1": 253,
+      "SiH4": 254,
+      "Rb+1": 255,
+      "=Branch3": 256,
+      "N@@": 257,
+      "As+1": 258,
+      "/Si": 259,
+      "BH1-1": 260,
+      "SH1": 261,
+      "/123I": 262,
+      "32": 263,
+      "=Mg": 264,
+      "H+1": 265,
+      "\\B": 266,
+      "SiH1": 267,
+      "P@@+1": 268,
+      "-2": 269,
+      "15": 270,
+      "17": 271,
+      "35": 272,
+      "=13CH1": 273,
+      "Cs": 274,
+      "=NH2+1": 275,
+      "=SH1": 276,
+      "MgH2": 277,
+      "32P": 278,
+      "17F": 279,
+      "35S": 280,
+      "Cs+1": 281,
+      "#11C": 282,
+      "/131I": 283,
+      "Bi": 284,
+      "\\125I": 285,
+      "=S@@": 286,
+      "\\S-1": 287,
+      "6Br": 288,
+      "7I": 289,
+      "76Br": 290,
+      "=B": 291,
+      "eH1": 292,
+      "\\N-1": 293,
+      "18O": 294,
+      "127I": 295,
+      "11CH2": 296,
+      "14C@@H1": 297,
+      "TeH2": 298,
+      "15NH1": 299,
+      "Bi+3": 300,
+      "/P+1": 301,
+      "/13C": 302,
+      "/13CH1": 303,
+      "0B": 304,
+      "10B": 305,
+      "=Al": 306,
+      "=18O": 307,
+      "BH0": 308,
+      "F-1": 309,
+      "NH3": 310,
+      "S-2": 311,
+      "Br+2": 312,
+      "Cl+2": 313,
+      "\\Si": 314,
+      "/S-1": 315,
+      "=PH2": 316,
+      "14C@H1": 317,
+      "NH3+1": 318,
+      "#14C": 319,
+      "#O+1": 320,
+      "-3": 321,
+      "22": 322,
+      "4H": 323,
+      "5Se": 324,
+      "5Sr+2": 325,
+      "75Se": 326,
+      "85Sr+2": 327,
+      "=B-1": 328,
+      "=13C": 329,
+      "@-1": 330,
+      "Be": 331,
+      "B@@": 332,
+      "B@-1": 333,
+      "Ca": 334,
+      "CH1": 335,
+      "I+3": 336,
+      "KH1": 337,
+      "OH1+1": 338,
+      "Ra+2": 339,
+      "SH1-1": 340,
+      "\\PH1": 341,
+      "\\123I": 342,
+      "=Ca": 343,
+      "\\CH1-1": 344,
+      "=S@": 345,
+      "\\SeH1": 346,
+      "/SeH1": 347,
+      "Se-1": 348,
+      "LiH1": 349,
+      "18F-1": 350,
+      "125IH1": 351,
+      "11CH1": 352,
+      "TeH1": 353,
+      "Zn+1": 354,
+      "Zn-2": 355,
+      "Al-3": 356,
+      "13CH3": 357,
+      "15N": 358,
+      "Be+2": 359,
+      "B@@-1": 360,
+      "#P": 361,
+      "#S": 362,
+      "-4": 363,
+      "/PH1": 364,
+      "/P@@": 365,
+      "/As": 366,
+      "/14C": 367,
+      "/14CH1": 368,
+      "2K+1": 369,
+      "2Rb+1": 370,
+      "3Se": 371,
+      "3Ra+2": 372,
+      "45": 373,
+      "47": 374,
+      "42K+1": 375,
+      "5I-1": 376,
+      "73Se": 377,
+      "89": 378,
+      "82Rb+1": 379,
+      "=32": 380,
+      "=32P": 381,
+      "CH0": 382,
+      "CH2": 383,
+      "I+2": 384,
+      "NH0": 385,
+      "NH4": 386,
+      "OH1": 387,
+      "PH2+1": 388,
+      "SH0": 389,
+      "SH2": 390,
+      "\\3H": 391,
+      "\\11CH3": 392,
+      "\\C-1": 393,
+      "\\Se": 394,
+      "Si@": 395,
+      "Si-1": 396,
+      "SiH1-1": 397,
+      "SiH3-1": 398,
+      "/Se": 399,
+      "Se-2": 400,
+      "\\NH1-1": 401,
+      "18FH1": 402,
+      "125I-1": 403,
+      "11C@@H1": 404,
+      "11C-1": 405,
+      "AsH1": 406,
+      "As-1": 407,
+      "14C@@": 408,
+      "Te-1": 409,
+      "Mg+1": 410,
+      "123I-1": 411,
+      "123Te": 412,
+      "123IH1": 413,
+      "135I": 414,
+      "131I-1": 415,
+      "Ag-4": 416,
+      "124I-1": 417,
+      "76BrH1": 418,
+      "18OH1": 419,
+      "22Na+1": 420,
+      "223Ra+2": 421,
+      "CaH2": 422,
+      "45Ca+2": 423,
+      "47Ca+2": 424,
+      "89Sr+2": 425,
+      "=32PH1": 426,
+      "NH4+1": 427
+    },
+    "merges": [
+      "B r",
+      "a n",
+      "c h",
+      "Br an",
+      "Bran ch",
+      "Branch 1",
+      "= C",
+      "R i",
+      "n g",
+      "Ri ng",
+      "Ring 1",
+      "= Branch1",
+      "Branch 2",
+      "= O",
+      "Ring 2",
+      "H 1",
+      "C @",
+      "= N",
+      "# Branch1",
+      "C@ @",
+      "= Branch2",
+      "C@ H1",
+      "C@@ H1",
+      "# Branch2",
+      "# C",
+      "C l",
+      "/ C",
+      "N H1",
+      "= Ring1",
+      "+ 1",
+      "- 1",
+      "O -1",
+      "N +1",
+      "\\ C",
+      "# N",
+      "/ N",
+      "= Ring2",
+      "= S",
+      "=N +1",
+      "\\ N",
+      "N a",
+      "Na +1",
+      "/ O",
+      "\\ O",
+      "Br -1",
+      "Branch 3",
+      "\\ S",
+      "S +1",
+      "Cl -1",
+      "I -1",
+      "/ C@@H1",
+      "S i",
+      "/ C@H1",
+      "/ S",
+      "=N -1",
+      "S e",
+      "= P",
+      "N -1",
+      "Ring 3",
+      "2 H",
+      "P +1",
+      "K +1",
+      "\\ C@@H1",
+      "\\ C@H1",
+      "/ N+1",
+      "@ @",
+      "C -1",
+      "# N+1",
+      "B -1",
+      "+ 3",
+      "Cl +3",
+      "\\ NH1",
+      "L i",
+      "Li +1",
+      "P H1",
+      "1 8",
+      "18 F",
+      "@ +1",
+      "3 H",
+      "P @@",
+      "H 0",
+      "O H0",
+      "1 2",
+      "P @",
+      "+ 2",
+      "@@ +1",
+      "S -1",
+      "/ Br",
+      "- /",
+      "\\ Cl",
+      "-/ Ring2",
+      "\\ O-1",
+      "1 1",
+      "5 I",
+      "12 5I",
+      "11 C",
+      "H 3",
+      "\\ N+1",
+      "- \\",
+      "/ C@@",
+      "S @+1",
+      "A s",
+      "/ Cl",
+      "11C H3",
+      "=S e",
+      "S @@+1",
+      "N @+1",
+      "1 4",
+      "-\\ Ring2",
+      "14 C",
+      "\\ F",
+      "/ C@",
+      "T e",
+      "H 2",
+      "H1 -1",
+      "=O +1",
+      "N @@+1",
+      "C +1",
+      "=S +1",
+      "Z n",
+      "/ P",
+      "a +2",
+      "/ I",
+      "O H1-1",
+      "C a+2",
+      "\\ Br",
+      "M g",
+      "Zn +2",
+      "A l",
+      "/ F",
+      "Mg +2",
+      "12 3",
+      "123 I",
+      "1 3",
+      "I +1",
+      "/ O-1",
+      "-\\ Ring1",
+      "B H2",
+      "BH2 -1",
+      "\\ I",
+      "/ NH1",
+      "O +1",
+      "13 1",
+      "131 I",
+      "= 14C",
+      "/ S+1",
+      "= Ring3",
+      "\\ C@@",
+      "H2 +1",
+      "\\ C@",
+      "A g",
+      "= As",
+      "=Se +1",
+      "N H2+1",
+      "Se H1",
+      "-/ Ring1",
+      "= Te",
+      "Al +3",
+      "Na H1",
+      "=Te +1",
+      "NH1 +1",
+      "Ag +1",
+      "H1 +1",
+      "NH1 -1",
+      "\\ P",
+      "14C H2",
+      "13 C",
+      "14C H1",
+      "= 11C",
+      "S @@",
+      "=P @@",
+      "Si H2",
+      "H3 -1",
+      "14C H3",
+      "B H3-1",
+      "S @",
+      "=14C H1",
+      "=P H1",
+      "=P @",
+      "=N H1+1",
+      "\\S +1",
+      "12 4",
+      "C H1-1",
+      "S r",
+      "=S i",
+      "124 I",
+      "Sr +2",
+      "#C -1",
+      "/C -1",
+      "N @",
+      "/N -1",
+      "13C H1",
+      "/ B",
+      "1 9",
+      "B a+2",
+      "H 4",
+      "S H1+1",
+      "Se +1",
+      "19 F",
+      "/ 125I",
+      "P @+1",
+      "R b",
+      "Cl +1",
+      "Si H4",
+      "Rb +1",
+      "= Branch3",
+      "N @@",
+      "As +1",
+      "/ Si",
+      "B H1-1",
+      "S H1",
+      "/ 123I",
+      "3 2",
+      "= Mg",
+      "H +1",
+      "\\ B",
+      "Si H1",
+      "P@@ +1",
+      "- 2",
+      "1 5",
+      "1 7",
+      "3 5",
+      "= 13CH1",
+      "C s",
+      "=N H2+1",
+      "=S H1",
+      "Mg H2",
+      "32 P",
+      "17 F",
+      "35 S",
+      "Cs +1",
+      "# 11C",
+      "/ 131I",
+      "B i",
+      "\\ 125I",
+      "=S @@",
+      "\\S -1",
+      "6 Br",
+      "7 I",
+      "7 6Br",
+      "= B",
+      "e H1",
+      "\\N -1",
+      "18 O",
+      "12 7I",
+      "11C H2",
+      "14 C@@H1",
+      "Te H2",
+      "15 NH1",
+      "Bi +3",
+      "/ P+1",
+      "/ 13C",
+      "/ 13CH1",
+      "0 B",
+      "1 0B",
+      "= Al",
+      "= 18O",
+      "B H0",
+      "F -1",
+      "N H3",
+      "S -2",
+      "Br +2",
+      "Cl +2",
+      "\\S i",
+      "/S -1",
+      "=P H2",
+      "14 C@H1",
+      "NH3 +1",
+      "# 14C",
+      "# O+1",
+      "- 3",
+      "2 2",
+      "4 H",
+      "5 Se",
+      "5 Sr+2",
+      "7 5Se",
+      "8 5Sr+2",
+      "= B-1",
+      "= 13C",
+      "@ -1",
+      "B e",
+      "B @@",
+      "B @-1",
+      "C a",
+      "C H1",
+      "I +3",
+      "K H1",
+      "O H1+1",
+      "R a+2",
+      "S H1-1",
+      "\\ PH1",
+      "\\ 123I",
+      "=C a",
+      "\\C H1-1",
+      "=S @",
+      "\\S eH1",
+      "/S eH1",
+      "Se -1",
+      "Li H1",
+      "18F -1",
+      "125I H1",
+      "11C H1",
+      "Te H1",
+      "Zn +1",
+      "Zn -2",
+      "Al -3",
+      "13C H3",
+      "15 N",
+      "Be +2",
+      "B@@ -1",
+      "# P",
+      "# S",
+      "- 4",
+      "/ PH1",
+      "/ P@@",
+      "/ As",
+      "/ 14C",
+      "/ 14CH1",
+      "2 K+1",
+      "2 Rb+1",
+      "3 Se",
+      "3 Ra+2",
+      "4 5",
+      "4 7",
+      "4 2K+1",
+      "5 I-1",
+      "7 3Se",
+      "8 9",
+      "8 2Rb+1",
+      "= 32",
+      "= 32P",
+      "C H0",
+      "C H2",
+      "I +2",
+      "N H0",
+      "N H4",
+      "O H1",
+      "P H2+1",
+      "S H0",
+      "S H2",
+      "\\ 3H",
+      "\\ 11CH3",
+      "\\C -1",
+      "\\S e",
+      "Si @",
+      "Si -1",
+      "Si H1-1",
+      "Si H3-1",
+      "/S e",
+      "Se -2",
+      "\\NH1 -1",
+      "18F H1",
+      "12 5I-1",
+      "11 C@@H1",
+      "11 C-1",
+      "As H1",
+      "As -1",
+      "14 C@@",
+      "Te -1",
+      "Mg +1",
+      "123 I-1",
+      "123 Te",
+      "123I H1",
+      "13 5I",
+      "131 I-1",
+      "Ag -4",
+      "124 I-1",
+      "76Br H1",
+      "18O H1",
+      "22 Na+1",
+      "22 3Ra+2",
+      "Ca H2",
+      "45 Ca+2",
+      "47 Ca+2",
+      "89 Sr+2",
+      "=32 PH1",
+      "NH4 +1"
+    ]
+  }
+}
\ No newline at end of file
diff --git a/models/finetuned/tox21/tokenizer_config.json b/models/finetuned/tox21/tokenizer_config.json
new file mode 100644
index 0000000000000000000000000000000000000000..08860954acd34fad07fd77f7635298fa565f3149
--- /dev/null
+++ b/models/finetuned/tox21/tokenizer_config.json
@@ -0,0 +1,65 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1000000000000000019884624838656,
+  "name_or_path": "/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36",
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "special_tokens_map_file": null,
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/models/finetuned/tox21/train_stdout.log b/models/finetuned/tox21/train_stdout.log
new file mode 100644
index 0000000000000000000000000000000000000000..3360f20215181e93710f5f5cf87e7964fe267b0f
--- /dev/null
+++ b/models/finetuned/tox21/train_stdout.log
@@ -0,0 +1,92 @@
+[finetune] starting
+[finetune] device=cuda task_type=multilabel batch_size=8 max_len=128 backbone_lr=1e-05 head_lr=0.0005 weight_decay=0.001 epochs=50
+[finetune] dataset_meta_csv=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/tox21/tox21.csv
+[finetune] dataset_embs_npz=/home/erva/SELFormerMM/data/new_finetuning_datasets/classification/tox21/tox21_embs.npz
+[finetune] model_path=HUBioDataLab/SELFormer tokenizer_path=HUBioDataLab/SELFormer
+[finetune] pretrained_multimodal_dir=/home/erva/SELFormerMM/data/pretrained_multimodal_chembl36
+[finetune] use_scaffold=False seed=42 fracs=(0.8,0.1,0.1)
+[finetune] loading dataset bundle (meta csv + embs npz) ...
+[finetune] splitting dataset...
+[finetune] split sizes: train=6,264 val=783 test=784
+[finetune] train modality_non_empty: graph=6,258/6,264 text=4,796/6,264 kg=298/6,264
+[finetune] val   modality_non_empty: graph=782/783 text=623/783 kg=25/783
+[finetune] test  modality_non_empty: graph=783/784 text=592/784 kg=38/784
+[finetune] extracting labels...
+[finetune] multilabel: num_labels_in_csv=13
+[finetune] loading config/tokenizer/backbone...
+[finetune] initializing multimodal model...
+[finetune] loading multimodal pretrained weights: /home/erva/SELFormerMM/data/pretrained_multimodal_chembl36/pytorch_model.bin
+[finetune] freezing roberta layers (trainable: encoder.layer.9-11)...
+[finetune] backbone trainable params: 181,443,072/246,245,376
+[finetune] building datasets/dataloaders...
+[finetune] train_steps_per_epoch=783 val_steps=98 test_steps=98
+[finetune] overriding --num_labels=1 with num_labels_in_csv=13
+[finetune] initialized head: in_dim=3072 out=13
+[finetune] initializing optimizer/scheduler/finetuner...
+[finetune] optimizer groups: backbone_decay=45 backbone_nodecay=57 head_decay=2 head_nodecay=2
+[finetune] training loop...
+[finetune] epoch 1/50: train_loss=-216193.6333 val_loss=-113671.4013 time=54.7s tod=16:14
+[finetune] epoch 2/50: train_loss=-412453.9276 val_loss=-440000.0230 time=54.0s tod=16:15
+[finetune] epoch 3/50: train_loss=-887676.8236 val_loss=-952418.1257 time=54.5s tod=16:16
+[finetune] epoch 4/50: train_loss=-1524831.5284 val_loss=-1035367.8295 time=53.7s tod=16:17
+[finetune] epoch 5/50: train_loss=-2351748.6775 val_loss=-1452939.0927 time=54.0s tod=16:17
+[finetune] epoch 6/50: train_loss=-3184443.9216 val_loss=-1768902.9329 time=53.7s tod=16:18
+[finetune] epoch 7/50: train_loss=-4038405.9811 val_loss=-2172572.4858 time=53.4s tod=16:19
+[finetune] epoch 8/50: train_loss=-4937786.7989 val_loss=-2350164.7637 time=53.8s tod=16:20
+[finetune] epoch 9/50: train_loss=-5681205.7596 val_loss=-2605011.2469 time=54.0s tod=16:21
+[finetune] epoch 10/50: train_loss=-6567555.5207 val_loss=-2593369.0649 time=53.4s tod=16:22
+[finetune] epoch 11/50: train_loss=-7387322.5679 val_loss=-3612002.6768 time=54.1s tod=16:23
+[finetune] epoch 12/50: train_loss=-8185306.1467 val_loss=-2633102.3551 time=53.6s tod=16:24
+[finetune] epoch 13/50: train_loss=-8990810.3031 val_loss=-3891463.0388 time=53.9s tod=16:25
+[finetune] epoch 14/50: train_loss=-9759411.5767 val_loss=-4663161.3781 time=53.8s tod=16:25
+[finetune] epoch 15/50: train_loss=-10479519.1598 val_loss=-4013720.2909 time=53.3s tod=16:26
+[finetune] epoch 16/50: train_loss=-11349079.8151 val_loss=-3809875.2072 time=53.8s tod=16:27
+[finetune] epoch 17/50: train_loss=-12140997.0294 val_loss=-4012518.1141 time=53.9s tod=16:28
+[finetune] epoch 18/50: train_loss=-12888118.4571 val_loss=-4380830.4794 time=53.4s tod=16:29
+[finetune] epoch 19/50: train_loss=-13520204.9583 val_loss=-4382646.9831 time=54.1s tod=16:30
+[finetune] epoch 20/50: train_loss=-14241493.7080 val_loss=-5114424.9447 time=54.3s tod=16:31
+[finetune] epoch 21/50: train_loss=-14975536.1623 val_loss=-5732739.2004 time=53.6s tod=16:32
+[finetune] epoch 22/50: train_loss=-15634874.3266 val_loss=-5503666.0586 time=53.5s tod=16:33
+[finetune] epoch 23/50: train_loss=-16297291.1342 val_loss=-5298696.2058 time=54.2s tod=16:34
+[finetune] epoch 24/50: train_loss=-17026477.4266 val_loss=-4584186.9219 time=53.5s tod=16:34
+[finetune] epoch 25/50: train_loss=-17412736.1286 val_loss=-6193778.4885 time=54.4s tod=16:35
+/home/erva/SELFormerMM/train_finetuning.py:155: RuntimeWarning: overflow encountered in exp
+  return 1.0 / (1.0 + np.exp(-x))
+[finetune] test_metrics: epoch=25 loss=-10717827.3358 accuracy=0.9269 precision=0.3792 recall=0.2921 f1=0.3300 roc-auc=0.6336 prc-auc=0.1858
+[finetune] saved checkpoint (best roc-auc=0.6336): /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/tox21/xyrw6rkc/checkpoint_epoch_025
+[finetune] epoch 26/50: train_loss=-18012359.0458 val_loss=-5623670.3106 time=54.0s tod=16:36
+[finetune] epoch 27/50: train_loss=-18672690.9479 val_loss=-6479933.9914 time=53.3s tod=16:37
+[finetune] epoch 28/50: train_loss=-19280746.8376 val_loss=-5831075.7259 time=54.2s tod=16:38
+[finetune] epoch 29/50: train_loss=-19729831.8720 val_loss=-7317136.4007 time=54.1s tod=16:39
+[finetune] epoch 30/50: train_loss=-20169510.6495 val_loss=-6095962.3972 time=53.9s tod=16:40
+[finetune] epoch 31/50: train_loss=-20712630.3428 val_loss=-6431097.9831 time=53.3s tod=16:41
+[finetune] epoch 32/50: train_loss=-21138979.2127 val_loss=-6581554.7533 time=53.1s tod=16:42
+[finetune] epoch 33/50: train_loss=-21585666.2917 val_loss=-6187379.4101 time=53.4s tod=16:43
+[finetune] epoch 34/50: train_loss=-21839427.5970 val_loss=-6638206.6535 time=53.3s tod=16:43
+[finetune] epoch 35/50: train_loss=-22323325.7181 val_loss=-7626298.3497 time=53.7s tod=16:44
+[finetune] epoch 36/50: train_loss=-22618891.8809 val_loss=-7537031.2214 time=52.6s tod=16:45
+[finetune] epoch 37/50: train_loss=-22912492.7341 val_loss=-6675574.5707 time=53.0s tod=16:46
+[finetune] epoch 38/50: train_loss=-23171182.0316 val_loss=-7554391.4859 time=53.0s tod=16:47
+[finetune] epoch 39/50: train_loss=-23530399.3391 val_loss=-7706676.0849 time=53.2s tod=16:48
+[finetune] epoch 40/50: train_loss=-23791565.5375 val_loss=-7679242.5749 time=54.1s tod=16:49
+[finetune] epoch 41/50: train_loss=-23953559.3519 val_loss=-7454979.6627 time=53.9s tod=16:50
+[finetune] epoch 42/50: train_loss=-24229901.7895 val_loss=-7261276.1295 time=53.6s tod=16:51
+[finetune] epoch 43/50: train_loss=-24433469.5779 val_loss=-7703355.7898 time=51.6s tod=16:51
+[finetune] epoch 44/50: train_loss=-24593268.4133 val_loss=-7843873.5753 time=54.6s tod=16:52
+[finetune] epoch 45/50: train_loss=-24648599.9635 val_loss=-8010940.1643 time=52.9s tod=16:53
+[finetune] epoch 46/50: train_loss=-24824771.2119 val_loss=-7650992.9769 time=54.5s tod=16:54
+[finetune] epoch 47/50: train_loss=-24919698.8539 val_loss=-7686188.3593 time=53.5s tod=16:55
+[finetune] epoch 48/50: train_loss=-24983982.4635 val_loss=-7849183.9679 time=53.2s tod=16:56
+[finetune] epoch 49/50: train_loss=-25026115.0519 val_loss=-8320514.8827 time=53.4s tod=16:57
+[finetune] epoch 50/50: train_loss=-25057941.0290 val_loss=-8258987.8504 time=52.9s tod=16:58
+/home/erva/SELFormerMM/train_finetuning.py:155: RuntimeWarning: overflow encountered in exp
+  return 1.0 / (1.0 + np.exp(-x))
+[finetune] test_metrics: epoch=50 loss=-13557626.8894 accuracy=0.9364 precision=0.4714 recall=0.2648 f1=0.3392 roc-auc=0.6260 prc-auc=0.2032
+[finetune] checkpoint skipped (current roc-auc=0.6260 vs best=0.6336 at epoch 25)
+[finetune] final evaluation on test split...
+/home/erva/SELFormerMM/train_finetuning.py:155: RuntimeWarning: overflow encountered in exp
+  return 1.0 / (1.0 + np.exp(-x))
+[finetune] test_metrics: loss=-13557626.8894 accuracy=0.9364 precision=0.4714 recall=0.2648 f1=0.3392 roc-auc=0.6260 prc-auc=0.2032
+[finetune] saving model...
+[finetune] saved finetuned model to: /media/ubuntu/8TB/erva/selformer-mm/output/new_finetune_sweeps/tox21/xyrw6rkc
+[finetune] done in 2697.0s
diff --git a/models/finetuned/tox21/vocab.json b/models/finetuned/tox21/vocab.json
new file mode 100644
index 0000000000000000000000000000000000000000..f7e4cc22809f4e9035cc450ef189c8a7da8fd03e
--- /dev/null
+++ b/models/finetuned/tox21/vocab.json
@@ -0,0 +1 @@
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