Hugging Face's logo

jaykmr
/
ESMCrystal_t6_8M_v1

Text Classification
Transformers
PyTorch
Safetensors
esm
Inference Endpoints
Model card Files Community
1
jaykmr commited on
Commit
7e57cdb
•
1 Parent(s): 2c554e5

Added results

Browse files
Files changed (1) hide show
  1. README.md +106 -11
README.md CHANGED
@@ -23,71 +23,166 @@ Label 1: Crystallizable (Positive)
23
 
24
  | Dataset | Accuracy |
25
  |------------------|--------------------|
26
- | DeepCrystal Test | |
27
- | BCrystal test | |
28
- | SP test | |
29
- | TR test | |
30
 
31
  ## Comparision Table:
32
 
33
-
 
 
 
 
 
 
 
 
 
 
34
 
35
  ## Graphs
36
 
37
  ### ROC-AUC Curve
38
 
 
 
 
 
 
39
 
 
 
 
 
 
40
 
41
  ### PR-AUC Curve
42
 
 
 
 
 
 
 
 
 
 
 
 
 
 
43
 
44
  ## Final scores :
45
 
46
 
47
  * on DeepCrystal test:
48
-
 
 
 
 
 
 
 
49
 
50
  * on BCrystal test:
51
 
 
 
 
 
 
 
 
52
 
53
  * on SP test:
54
 
 
 
 
 
 
 
 
55
 
56
  * on TR test:
57
 
 
 
 
 
 
 
 
 
58
 
59
  ## Confusion matrix:
60
 
61
  * on DeepCrystal test:
62
-
 
 
63
 
64
  * on BCrystal test:
65
 
 
 
66
 
67
  * on SP test:
68
 
 
 
69
 
70
  * on TR test:
71
 
 
 
72
 
73
-
74
  ## Metrics
75
 
76
 
77
-
78
  roc score:
79
 
 
 
 
 
 
 
 
80
 
81
  Mathews Coefficient:
82
 
 
 
 
 
 
 
 
83
 
84
  NPV:
85
 
86
-
 
 
 
 
 
 
87
 
88
  PPV:
89
 
90
-
 
 
 
 
 
 
 
91
 
92
  Researchers:
93
 
 
23
 
24
  | Dataset | Accuracy |
25
  |------------------|--------------------|
26
+ | DeepCrystal Test | 0.7913593256059009 |
27
+ | BCrystal test | 0.7811975377728035 |
28
+ | SP test | 0.6962025316455697 |
29
+ | TR test | 0.8191699604743083 |
30
 
31
  ## Comparision Table:
32
 
33
+ | | Count | Positives | Negatives | TP | FP | FN | TN | Precision | Recall | F1 | Accuracy | ROC | Mathew's Coefficient | PPV | NPV |
34
+ |---------------|-------|-----------|-----------|-----|-----|----|-----|------------|------------|------------|------------|--------|----------------------|------------|------------|
35
+ | | | | | | | | | | | | | | | | |
36
+ | Test | 1898 | 898 | 1000 | 532 | 362 | 34 | 966 | 0.5950783 | 0.93992933 | 0.72876712 | 0.79091869 | 0.9467 | 0.611906376 | 0.5950783 | 0.966 |
37
+ | | | | | | | | | | | | | | | | |
38
+ | BCrystal Test | 1787 | 891 | 896 | 531 | 360 | 31 | 865 | 0.5959596 | 0.94483986 | 0.73090158 | 0.78119754 | 0.9396 | 0.604504011 | 0.5959596 | 0.96540179 |
39
+ | | | | | | | | | | | | | | | | |
40
+ | SP Test | 237 | 148 | 89 | 80 | 68 | 4 | 85 | 0.54054054 | 0.95238095 | 0.68965517 | 0.69620253 | 0.9328 | 0.501728679 | 0.54054054 | 0.95505618 |
41
+ | | | | | | | | | | | | | | | | |
42
+ | TR Test | 1012 | 374 | 638 | 207 | 167 | 16 | 622 | 0.55347594 | 0.92825112 | 0.69346734 | 0.81916996 | 0.9562 | 0.615341231 | 0.55347594 | 0.97492163 |
43
+ | | | | | | | | | | | | | | | | |
44
 
45
  ## Graphs
46
 
47
  ### ROC-AUC Curve
48
 
49
+ * DeepCrystal Test
50
+ ![Test ROC-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/ROC-final-test.png?raw=true)
51
+
52
+ * BCrystal Test
53
+ ![BCrystal Test ROC-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/ROC-final-BCtest.png?raw=true)
54
 
55
+ * SP Test
56
+ ![SP Test ROC-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/ROC-final-SPtest.png?raw=true)
57
+
58
+ * TR Test
59
+ ![TR Test ROC-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/ROC-final-TRtest.png?raw=true)
60
 
61
  ### PR-AUC Curve
62
 
63
+ * DeepCrystal Test
64
+ ![Test PR-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/PR-final-test.png?raw=true)
65
+
66
+ * BCrystal Test
67
+ ![BCrystal Test PR-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/PR-final-BCtest.png?raw=true)
68
+
69
+ * SP Test
70
+ ![SP Test PR-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/PR-final-SPtest.png?raw=true)
71
+
72
+ * TR Test
73
+ ![TR Test PR-AUC Curve](https://huggingface.co/jaykmr/ESMCrystal_t6_8M_v1/blob/main/Graphs/PR-final-TRtest.png?raw=true)
74
+
75
+
76
 
77
  ## Final scores :
78
 
79
 
80
  * on DeepCrystal test:
81
+
82
+ | | precision | recall | f1-score | support |
83
+ |--------------------|-----------|--------|----------|---------|
84
+ | non-crystallizable | 0.73 | 0.97 | 0.83 | 1000 |
85
+ | crystallizable | 0.94 | 0.60 | 0.73 | 898 |
86
+ | accuracy | | | 0.79 | 1898 |
87
+ | macro avg | 0.83 | 0.78 | 0.78 | 1898 |
88
+ | weighted avg | 0.83 | 0.79 | 0.78 | 1898 |
89
 
90
  * on BCrystal test:
91
 
92
+ | | precision | recall | f1-score | support |
93
+ |--------------------|-----------|--------|----------|---------|
94
+ | non-crystallizable | 0.71 | 0.97 | 0.82 | 896 |
95
+ | crystallizable | 0.94 | 0.60 | 0.73 | 891 |
96
+ | accuracy | | | 0.78 | 1787 |
97
+ | macro avg | 0.83 | 0.78 | 0.77 | 1787 |
98
+ | weighted avg | 0.83 | 0.78 | 0.77 | 1787 |
99
 
100
  * on SP test:
101
 
102
+ | | precision | recall | f1-score | support |
103
+ |--------------------|-----------|--------|----------|---------|
104
+ | non-crystallizable | 0.56 | 0.96 | 0.70 | 89 |
105
+ | crystallizable | 0.95 | 0.54 | 0.69 | 148 |
106
+ | accuracy | | | 0.70 | 237 |
107
+ | macro avg | 0.75 | 0.75 | 0.70 | 237 |
108
+ | weighted avg | 0.80 | 0.70 | 0.69 | 237 |
109
 
110
  * on TR test:
111
 
112
+ | | precision | recall | f1-score | support |
113
+ |--------------------|-----------|--------|----------|---------|
114
+ | non-crystallizable | 0.79 | 0.97 | 0.87 | 638 |
115
+ | crystallizable | 0.93 | 0.55 | 0.69 | 374 |
116
+ | accuracy | | | 0.82 | 1012 |
117
+ | macro avg | 0.86 | 0.76 | 0.78 | 1012 |
118
+ | weighted avg | 0.84 | 0.82 | 0.81 | 1012 |
119
+
120
 
121
  ## Confusion matrix:
122
 
123
  * on DeepCrystal test:
124
+
125
+ | 532 | 362 |
126
+ | 34 | 966 |
127
 
128
  * on BCrystal test:
129
 
130
+ | 531 | 360 |
131
+ | 31 | 865 |
132
 
133
  * on SP test:
134
 
135
+ | 80 | 68 |
136
+ | 4 | 85 |
137
 
138
  * on TR test:
139
 
140
+ | 207 | 167 |
141
+ | 16 | 622 |
142
 
 
143
  ## Metrics
144
 
145
 
 
146
  roc score:
147
 
148
+ * on DeepCrystal test: 0.9467594654788418
149
+
150
+ * on BCrystal test: 0.946546316337983
151
+
152
+ * on SP test: 0.9328120255086547
153
+
154
+ * on TR test: 0.9562804888270497
155
 
156
  Mathews Coefficient:
157
 
158
+ * on DeepCrystal test: 0.6130826598876417
159
+
160
+ * on BCrystal test: 0.6045040114572474
161
+
162
+ * on SP test: 0.5017286791304684
163
+
164
+ * on TR test: 0.6153412305503776
165
 
166
  NPV:
167
 
168
+ * on DeepCrystal test: 0.966
169
+
170
+ * on BCrystal test: 0.9654017857142857
171
+
172
+ * on SP test: 0.9550561797752809
173
+
174
+ * on TR test: 0.9749216300940439
175
 
176
  PPV:
177
 
178
+ * on DeepCrystal test: 0.5968819599109132
179
+
180
+ * on BCrystal test: 0.5959595959595959
181
+
182
+ * on SP test: 0.5405405405405406
183
+
184
+ * on TR test: 0.553475935828877
185
+
186
 
187
  Researchers:
188