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pubchem_selfies

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zpn commited on Oct 3, 2022

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pubchem_selfies.py +343 -343

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pubchem_selfies.py CHANGED Viewed

@@ -72,349 +72,348 @@ _HOMEPAGE = "https://pubchem.ncbi.nlm.nih.gov/"
 _LICENSE = "Open Data Commons Open Database License"
 # this list of files has been preshuffled so we can use the same splits everytime
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-    "data/Compound_143000001_143500000",
-    "data/Compound_014500001_015000000",
-    "data/Compound_157500001_158000000",
-    "data/Compound_007000001_007500000",
-    "data/Compound_038500001_039000000",
-    "data/Compound_065000001_065500000",
-    "data/Compound_147000001_147500000",
 ]
 class PubchemSelfies(datasets.GeneratorBasedBuilder):
-    """TODO: Short description of my dataset."""
     VERSION = datasets.Version("1.1.0")
     # You will be able to load one or the other configurations in the following list with
     BUILDER_CONFIG = datasets.BuilderConfig(
-        version=VERSION, description=""
-    )  # TODO: Short description of my dataset.
     def _info(self):
         return datasets.DatasetInfo(
@@ -431,21 +430,23 @@ class PubchemSelfies(datasets.GeneratorBasedBuilder):
             # Homepage of the dataset for documentation
             homepage=_HOMEPAGE,
             # License for the dataset if available
-            # license=_LICENSE,
             # Citation for the dataset
             citation=_CITATION,
         )
     def _split_generators(self, dl_manager):
-        train_len = int(len(SUBDIRS) * 0.8)
-        valid_len = int(len(SUBDIRS) * 0.1)
         return [
             datasets.SplitGenerator(
                 name=datasets.Split.TRAIN,
                 # These kwargs will be passed to _generate_examples
                 gen_kwargs={
-                    "subdirs": SUBDIRS[:train_len],
                     "split": "train",
                 },
             ),
@@ -453,7 +454,7 @@ class PubchemSelfies(datasets.GeneratorBasedBuilder):
                 name=datasets.Split.VALIDATION,
                 # These kwargs will be passed to _generate_examples
                 gen_kwargs={
-                    "subdirs": SUBDIRS[train_len : train_len + valid_len],
                     "split": "valid",
                 },
             ),
@@ -461,7 +462,7 @@ class PubchemSelfies(datasets.GeneratorBasedBuilder):
                 name=datasets.Split.TEST,
                 # These kwargs will be passed to _generate_examples
                 gen_kwargs={
-                    "subdirs": SUBDIRS[-valid_len:],
                     "split": "test",
                 },
             ),
@@ -470,8 +471,7 @@ class PubchemSelfies(datasets.GeneratorBasedBuilder):
     # method parameters are unpacked from `gen_kwargs` as given in `_split_generators`
     def _generate_examples(self, subdirs, split):
         # The `key` is for legacy reasons (tfds) and is not important in itself, but must be unique for each example.
-        for subdir in subdirs:
-            filepath = f"{subdir}/{subdir.split('/')[-1]}_SELFIES.jsonl.gz"
             with gzip.open(filepath, mode="rt") as f:
                 rows = f.readlines()
             for key, row in enumerate(rows):

 _LICENSE = "Open Data Commons Open Database License"
 # this list of files has been preshuffled so we can use the same splits everytime
+FILES = [
+   "data/Compound_021000001_021500000/Compound_021000001_021500000_SELFIES.jsonl.gz",
+   "data/Compound_034500001_035000000/Compound_034500001_035000000_SELFIES.jsonl.gz",
+   "data/Compound_023500001_024000000/Compound_023500001_024000000_SELFIES.jsonl.gz",
+   "data/Compound_151500001_152000000/Compound_151500001_152000000_SELFIES.jsonl.gz",
+   "data/Compound_126500001_127000000/Compound_126500001_127000000_SELFIES.jsonl.gz",
+   "data/Compound_030500001_031000000/Compound_030500001_031000000_SELFIES.jsonl.gz",
+   "data/Compound_061500001_062000000/Compound_061500001_062000000_SELFIES.jsonl.gz",
+   "data/Compound_031500001_032000000/Compound_031500001_032000000_SELFIES.jsonl.gz",
+   "data/Compound_111000001_111500000/Compound_111000001_111500000_SELFIES.jsonl.gz",
+   "data/Compound_058500001_059000000/Compound_058500001_059000000_SELFIES.jsonl.gz",
+   "data/Compound_065500001_066000000/Compound_065500001_066000000_SELFIES.jsonl.gz",
+   "data/Compound_065000001_065500000/Compound_065000001_065500000_SELFIES.jsonl.gz",
+   "data/Compound_039500001_040000000/Compound_039500001_040000000_SELFIES.jsonl.gz",
+   "data/Compound_014000001_014500000/Compound_014000001_014500000_SELFIES.jsonl.gz",
+   "data/Compound_021500001_022000000/Compound_021500001_022000000_SELFIES.jsonl.gz",
+   "data/Compound_081000001_081500000/Compound_081000001_081500000_SELFIES.jsonl.gz",
+   "data/Compound_122000001_122500000/Compound_122000001_122500000_SELFIES.jsonl.gz",
+   "data/Compound_045000001_045500000/Compound_045000001_045500000_SELFIES.jsonl.gz",
+   "data/Compound_017500001_018000000/Compound_017500001_018000000_SELFIES.jsonl.gz",
+   "data/Compound_059000001_059500000/Compound_059000001_059500000_SELFIES.jsonl.gz",
+   "data/Compound_141000001_141500000/Compound_141000001_141500000_SELFIES.jsonl.gz",
+   "data/Compound_129500001_130000000/Compound_129500001_130000000_SELFIES.jsonl.gz",
+   "data/Compound_163500001_164000000/Compound_163500001_164000000_SELFIES.jsonl.gz",
+   "data/Compound_089000001_089500000/Compound_089000001_089500000_SELFIES.jsonl.gz",
+   "data/Compound_077000001_077500000/Compound_077000001_077500000_SELFIES.jsonl.gz",
+   "data/Compound_161000001_161500000/Compound_161000001_161500000_SELFIES.jsonl.gz",
+   "data/Compound_113000001_113500000/Compound_113000001_113500000_SELFIES.jsonl.gz",
+   "data/Compound_040000001_040500000/Compound_040000001_040500000_SELFIES.jsonl.gz",
+   "data/Compound_010000001_010500000/Compound_010000001_010500000_SELFIES.jsonl.gz",
+   "data/Compound_091500001_092000000/Compound_091500001_092000000_SELFIES.jsonl.gz",
+   "data/Compound_154500001_155000000/Compound_154500001_155000000_SELFIES.jsonl.gz",
+   "data/Compound_098500001_099000000/Compound_098500001_099000000_SELFIES.jsonl.gz",
+   "data/Compound_019000001_019500000/Compound_019000001_019500000_SELFIES.jsonl.gz",
+   "data/Compound_064000001_064500000/Compound_064000001_064500000_SELFIES.jsonl.gz",
+   "data/Compound_147000001_147500000/Compound_147000001_147500000_SELFIES.jsonl.gz",
+   "data/Compound_001500001_002000000/Compound_001500001_002000000_SELFIES.jsonl.gz",
+   "data/Compound_137000001_137500000/Compound_137000001_137500000_SELFIES.jsonl.gz",
+   "data/Compound_161500001_162000000/Compound_161500001_162000000_SELFIES.jsonl.gz",
+   "data/Compound_074000001_074500000/Compound_074000001_074500000_SELFIES.jsonl.gz",
+   "data/Compound_133500001_134000000/Compound_133500001_134000000_SELFIES.jsonl.gz",
+   "data/Compound_028000001_028500000/Compound_028000001_028500000_SELFIES.jsonl.gz",
+   "data/Compound_147500001_148000000/Compound_147500001_148000000_SELFIES.jsonl.gz",
+   "data/Compound_159000001_159500000/Compound_159000001_159500000_SELFIES.jsonl.gz",
+   "data/Compound_098000001_098500000/Compound_098000001_098500000_SELFIES.jsonl.gz",
+   "data/Compound_024000001_024500000/Compound_024000001_024500000_SELFIES.jsonl.gz",
+   "data/Compound_043000001_043500000/Compound_043000001_043500000_SELFIES.jsonl.gz",
+   "data/Compound_004500001_005000000/Compound_004500001_005000000_SELFIES.jsonl.gz",
+   "data/Compound_118000001_118500000/Compound_118000001_118500000_SELFIES.jsonl.gz",
+   "data/Compound_104500001_105000000/Compound_104500001_105000000_SELFIES.jsonl.gz",
+   "data/Compound_013000001_013500000/Compound_013000001_013500000_SELFIES.jsonl.gz",
+   "data/Compound_035500001_036000000/Compound_035500001_036000000_SELFIES.jsonl.gz",
+   "data/Compound_129000001_129500000/Compound_129000001_129500000_SELFIES.jsonl.gz",
+   "data/Compound_141500001_142000000/Compound_141500001_142000000_SELFIES.jsonl.gz",
+   "data/Compound_120500001_121000000/Compound_120500001_121000000_SELFIES.jsonl.gz",
+   "data/Compound_066000001_066500000/Compound_066000001_066500000_SELFIES.jsonl.gz",
+   "data/Compound_060000001_060500000/Compound_060000001_060500000_SELFIES.jsonl.gz",
+   "data/Compound_014500001_015000000/Compound_014500001_015000000_SELFIES.jsonl.gz",
+   "data/Compound_159500001_160000000/Compound_159500001_160000000_SELFIES.jsonl.gz",
+   "data/Compound_107500001_108000000/Compound_107500001_108000000_SELFIES.jsonl.gz",
+   "data/Compound_139500001_140000000/Compound_139500001_140000000_SELFIES.jsonl.gz",
+   "data/Compound_088500001_089000000/Compound_088500001_089000000_SELFIES.jsonl.gz",
+   "data/Compound_070000001_070500000/Compound_070000001_070500000_SELFIES.jsonl.gz",
+   "data/Compound_103000001_103500000/Compound_103000001_103500000_SELFIES.jsonl.gz",
+   "data/Compound_063000001_063500000/Compound_063000001_063500000_SELFIES.jsonl.gz",
+   "data/Compound_052500001_053000000/Compound_052500001_053000000_SELFIES.jsonl.gz",
+   "data/Compound_094000001_094500000/Compound_094000001_094500000_SELFIES.jsonl.gz",
+   "data/Compound_091000001_091500000/Compound_091000001_091500000_SELFIES.jsonl.gz",
+   "data/Compound_075000001_075500000/Compound_075000001_075500000_SELFIES.jsonl.gz",
+   "data/Compound_116500001_117000000/Compound_116500001_117000000_SELFIES.jsonl.gz",
+   "data/Compound_164500001_165000000/Compound_164500001_165000000_SELFIES.jsonl.gz",
+   "data/Compound_071500001_072000000/Compound_071500001_072000000_SELFIES.jsonl.gz",
+   "data/Compound_055000001_055500000/Compound_055000001_055500000_SELFIES.jsonl.gz",
+   "data/Compound_027500001_028000000/Compound_027500001_028000000_SELFIES.jsonl.gz",
+   "data/Compound_132500001_133000000/Compound_132500001_133000000_SELFIES.jsonl.gz",
+   "data/Compound_027000001_027500000/Compound_027000001_027500000_SELFIES.jsonl.gz",
+   "data/Compound_132000001_132500000/Compound_132000001_132500000_SELFIES.jsonl.gz",
+   "data/Compound_089500001_090000000/Compound_089500001_090000000_SELFIES.jsonl.gz",
+   "data/Compound_120000001_120500000/Compound_120000001_120500000_SELFIES.jsonl.gz",
+   "data/Compound_088000001_088500000/Compound_088000001_088500000_SELFIES.jsonl.gz",
+   "data/Compound_117500001_118000000/Compound_117500001_118000000_SELFIES.jsonl.gz",
+   "data/Compound_114000001_114500000/Compound_114000001_114500000_SELFIES.jsonl.gz",
+   "data/Compound_049500001_050000000/Compound_049500001_050000000_SELFIES.jsonl.gz",
+   "data/Compound_134000001_134500000/Compound_134000001_134500000_SELFIES.jsonl.gz",
+   "data/Compound_115000001_115500000/Compound_115000001_115500000_SELFIES.jsonl.gz",
+   "data/Compound_143500001_144000000/Compound_143500001_144000000_SELFIES.jsonl.gz",
+   "data/Compound_164000001_164500000/Compound_164000001_164500000_SELFIES.jsonl.gz",
+   "data/Compound_094500001_095000000/Compound_094500001_095000000_SELFIES.jsonl.gz",
+   "data/Compound_072500001_073000000/Compound_072500001_073000000_SELFIES.jsonl.gz",
+   "data/Compound_086500001_087000000/Compound_086500001_087000000_SELFIES.jsonl.gz",
+   "data/Compound_084000001_084500000/Compound_084000001_084500000_SELFIES.jsonl.gz",
+   "data/Compound_148500001_149000000/Compound_148500001_149000000_SELFIES.jsonl.gz",
+   "data/Compound_144000001_144500000/Compound_144000001_144500000_SELFIES.jsonl.gz",
+   "data/Compound_146000001_146500000/Compound_146000001_146500000_SELFIES.jsonl.gz",
+   "data/Compound_054500001_055000000/Compound_054500001_055000000_SELFIES.jsonl.gz",
+   "data/Compound_034000001_034500000/Compound_034000001_034500000_SELFIES.jsonl.gz",
+   "data/Compound_007000001_007500000/Compound_007000001_007500000_SELFIES.jsonl.gz",
+   "data/Compound_056500001_057000000/Compound_056500001_057000000_SELFIES.jsonl.gz",
+   "data/Compound_152500001_153000000/Compound_152500001_153000000_SELFIES.jsonl.gz",
+   "data/Compound_030000001_030500000/Compound_030000001_030500000_SELFIES.jsonl.gz",
+   "data/Compound_031000001_031500000/Compound_031000001_031500000_SELFIES.jsonl.gz",
+   "data/Compound_035000001_035500000/Compound_035000001_035500000_SELFIES.jsonl.gz",
+   "data/Compound_156500001_157000000/Compound_156500001_157000000_SELFIES.jsonl.gz",
+   "data/Compound_036000001_036500000/Compound_036000001_036500000_SELFIES.jsonl.gz",
+   "data/Compound_157500001_158000000/Compound_157500001_158000000_SELFIES.jsonl.gz",
+   "data/Compound_051500001_052000000/Compound_051500001_052000000_SELFIES.jsonl.gz",
+   "data/Compound_144500001_145000000/Compound_144500001_145000000_SELFIES.jsonl.gz",
+   "data/Compound_038500001_039000000/Compound_038500001_039000000_SELFIES.jsonl.gz",
+   "data/Compound_018500001_019000000/Compound_018500001_019000000_SELFIES.jsonl.gz",
+   "data/Compound_149000001_149500000/Compound_149000001_149500000_SELFIES.jsonl.gz",
+   "data/Compound_139000001_139500000/Compound_139000001_139500000_SELFIES.jsonl.gz",
+   "data/Compound_039000001_039500000/Compound_039000001_039500000_SELFIES.jsonl.gz",
+   "data/Compound_102000001_102500000/Compound_102000001_102500000_SELFIES.jsonl.gz",
+   "data/Compound_022000001_022500000/Compound_022000001_022500000_SELFIES.jsonl.gz",
+   "data/Compound_009500001_010000000/Compound_009500001_010000000_SELFIES.jsonl.gz",
+   "data/Compound_086000001_086500000/Compound_086000001_086500000_SELFIES.jsonl.gz",
+   "data/Compound_040500001_041000000/Compound_040500001_041000000_SELFIES.jsonl.gz",
+   "data/Compound_131500001_132000000/Compound_131500001_132000000_SELFIES.jsonl.gz",
+   "data/Compound_095000001_095500000/Compound_095000001_095500000_SELFIES.jsonl.gz",
+   "data/Compound_107000001_107500000/Compound_107000001_107500000_SELFIES.jsonl.gz",
+   "data/Compound_076500001_077000000/Compound_076500001_077000000_SELFIES.jsonl.gz",
+   "data/Compound_013500001_014000000/Compound_013500001_014000000_SELFIES.jsonl.gz",
+   "data/Compound_056000001_056500000/Compound_056000001_056500000_SELFIES.jsonl.gz",
+   "data/Compound_138000001_138500000/Compound_138000001_138500000_SELFIES.jsonl.gz",
+   "data/Compound_162500001_163000000/Compound_162500001_163000000_SELFIES.jsonl.gz",
+   "data/Compound_136000001_136500000/Compound_136000001_136500000_SELFIES.jsonl.gz",
+   "data/Compound_146500001_147000000/Compound_146500001_147000000_SELFIES.jsonl.gz",
+   "data/Compound_007500001_008000000/Compound_007500001_008000000_SELFIES.jsonl.gz",
+   "data/Compound_037500001_038000000/Compound_037500001_038000000_SELFIES.jsonl.gz",
+   "data/Compound_015000001_015500000/Compound_015000001_015500000_SELFIES.jsonl.gz",
+   "data/Compound_106500001_107000000/Compound_106500001_107000000_SELFIES.jsonl.gz",
+   "data/Compound_003500001_004000000/Compound_003500001_004000000_SELFIES.jsonl.gz",
+   "data/Compound_131000001_131500000/Compound_131000001_131500000_SELFIES.jsonl.gz",
+   "data/Compound_102500001_103000000/Compound_102500001_103000000_SELFIES.jsonl.gz",
+   "data/Compound_112000001_112500000/Compound_112000001_112500000_SELFIES.jsonl.gz",
+   "data/Compound_049000001_049500000/Compound_049000001_049500000_SELFIES.jsonl.gz",
+   "data/Compound_041000001_041500000/Compound_041000001_041500000_SELFIES.jsonl.gz",
+   "data/Compound_011000001_011500000/Compound_011000001_011500000_SELFIES.jsonl.gz",
+   "data/Compound_079500001_080000000/Compound_079500001_080000000_SELFIES.jsonl.gz",
+   "data/Compound_105500001_106000000/Compound_105500001_106000000_SELFIES.jsonl.gz",
+   "data/Compound_123500001_124000000/Compound_123500001_124000000_SELFIES.jsonl.gz",
+   "data/Compound_057000001_057500000/Compound_057000001_057500000_SELFIES.jsonl.gz",
+   "data/Compound_110500001_111000000/Compound_110500001_111000000_SELFIES.jsonl.gz",
+   "data/Compound_029500001_030000000/Compound_029500001_030000000_SELFIES.jsonl.gz",
+   "data/Compound_082000001_082500000/Compound_082000001_082500000_SELFIES.jsonl.gz",
+   "data/Compound_087500001_088000000/Compound_087500001_088000000_SELFIES.jsonl.gz",
+   "data/Compound_100500001_101000000/Compound_100500001_101000000_SELFIES.jsonl.gz",
+   "data/Compound_018000001_018500000/Compound_018000001_018500000_SELFIES.jsonl.gz",
+   "data/Compound_114500001_115000000/Compound_114500001_115000000_SELFIES.jsonl.gz",
+   "data/Compound_008000001_008500000/Compound_008000001_008500000_SELFIES.jsonl.gz",
+   "data/Compound_143000001_143500000/Compound_143000001_143500000_SELFIES.jsonl.gz",
+   "data/Compound_142000001_142500000/Compound_142000001_142500000_SELFIES.jsonl.gz",
+   "data/Compound_109000001_109500000/Compound_109000001_109500000_SELFIES.jsonl.gz",
+   "data/Compound_047000001_047500000/Compound_047000001_047500000_SELFIES.jsonl.gz",
+   "data/Compound_077500001_078000000/Compound_077500001_078000000_SELFIES.jsonl.gz",
+   "data/Compound_100000001_100500000/Compound_100000001_100500000_SELFIES.jsonl.gz",
+   "data/Compound_043500001_044000000/Compound_043500001_044000000_SELFIES.jsonl.gz",
+   "data/Compound_029000001_029500000/Compound_029000001_029500000_SELFIES.jsonl.gz",
+   "data/Compound_078500001_079000000/Compound_078500001_079000000_SELFIES.jsonl.gz",
+   "data/Compound_005000001_005500000/Compound_005000001_005500000_SELFIES.jsonl.gz",
+   "data/Compound_153000001_153500000/Compound_153000001_153500000_SELFIES.jsonl.gz",
+   "data/Compound_004000001_004500000/Compound_004000001_004500000_SELFIES.jsonl.gz",
+   "data/Compound_072000001_072500000/Compound_072000001_072500000_SELFIES.jsonl.gz",
+   "data/Compound_045500001_046000000/Compound_045500001_046000000_SELFIES.jsonl.gz",
+   "data/Compound_050000001_050500000/Compound_050000001_050500000_SELFIES.jsonl.gz",
+   "data/Compound_115500001_116000000/Compound_115500001_116000000_SELFIES.jsonl.gz",
+   "data/Compound_155500001_156000000/Compound_155500001_156000000_SELFIES.jsonl.gz",
+   "data/Compound_025500001_026000000/Compound_025500001_026000000_SELFIES.jsonl.gz",
+   "data/Compound_106000001_106500000/Compound_106000001_106500000_SELFIES.jsonl.gz",
+   "data/Compound_075500001_076000000/Compound_075500001_076000000_SELFIES.jsonl.gz",
+   "data/Compound_062500001_063000000/Compound_062500001_063000000_SELFIES.jsonl.gz",
+   "data/Compound_155000001_155500000/Compound_155000001_155500000_SELFIES.jsonl.gz",
+   "data/Compound_105000001_105500000/Compound_105000001_105500000_SELFIES.jsonl.gz",
+   "data/Compound_097500001_098000000/Compound_097500001_098000000_SELFIES.jsonl.gz",
+   "data/Compound_005500001_006000000/Compound_005500001_006000000_SELFIES.jsonl.gz",
+   "data/Compound_127500001_128000000/Compound_127500001_128000000_SELFIES.jsonl.gz",
+   "data/Compound_135500001_136000000/Compound_135500001_136000000_SELFIES.jsonl.gz",
+   "data/Compound_020000001_020500000/Compound_020000001_020500000_SELFIES.jsonl.gz",
+   "data/Compound_135000001_135500000/Compound_135000001_135500000_SELFIES.jsonl.gz",
+   "data/Compound_068000001_068500000/Compound_068000001_068500000_SELFIES.jsonl.gz",
+   "data/Compound_026000001_026500000/Compound_026000001_026500000_SELFIES.jsonl.gz",
+   "data/Compound_099500001_100000000/Compound_099500001_100000000_SELFIES.jsonl.gz",
+   "data/Compound_158000001_158500000/Compound_158000001_158500000_SELFIES.jsonl.gz",
+   "data/Compound_069000001_069500000/Compound_069000001_069500000_SELFIES.jsonl.gz",
+   "data/Compound_078000001_078500000/Compound_078000001_078500000_SELFIES.jsonl.gz",
+   "data/Compound_066500001_067000000/Compound_066500001_067000000_SELFIES.jsonl.gz",
+   "data/Compound_076000001_076500000/Compound_076000001_076500000_SELFIES.jsonl.gz",
+   "data/Compound_009000001_009500000/Compound_009000001_009500000_SELFIES.jsonl.gz",
+   "data/Compound_117000001_117500000/Compound_117000001_117500000_SELFIES.jsonl.gz",
+   "data/Compound_055500001_056000000/Compound_055500001_056000000_SELFIES.jsonl.gz",
+   "data/Compound_012500001_013000000/Compound_012500001_013000000_SELFIES.jsonl.gz",
+   "data/Compound_011500001_012000000/Compound_011500001_012000000_SELFIES.jsonl.gz",
+   "data/Compound_015500001_016000000/Compound_015500001_016000000_SELFIES.jsonl.gz",
+   "data/Compound_092000001_092500000/Compound_092000001_092500000_SELFIES.jsonl.gz",
+   "data/Compound_008500001_009000000/Compound_008500001_009000000_SELFIES.jsonl.gz",
+   "data/Compound_000000001_000500000/Compound_000000001_000500000_SELFIES.jsonl.gz",
+   "data/Compound_151000001_151500000/Compound_151000001_151500000_SELFIES.jsonl.gz",
+   "data/Compound_082500001_083000000/Compound_082500001_083000000_SELFIES.jsonl.gz",
+   "data/Compound_012000001_012500000/Compound_012000001_012500000_SELFIES.jsonl.gz",
+   "data/Compound_057500001_058000000/Compound_057500001_058000000_SELFIES.jsonl.gz",
+   "data/Compound_103500001_104000000/Compound_103500001_104000000_SELFIES.jsonl.gz",
+   "data/Compound_067500001_068000000/Compound_067500001_068000000_SELFIES.jsonl.gz",
+   "data/Compound_108000001_108500000/Compound_108000001_108500000_SELFIES.jsonl.gz",
+   "data/Compound_046500001_047000000/Compound_046500001_047000000_SELFIES.jsonl.gz",
+   "data/Compound_017000001_017500000/Compound_017000001_017500000_SELFIES.jsonl.gz",
+   "data/Compound_058000001_058500000/Compound_058000001_058500000_SELFIES.jsonl.gz",
+   "data/Compound_079000001_079500000/Compound_079000001_079500000_SELFIES.jsonl.gz",
+   "data/Compound_062000001_062500000/Compound_062000001_062500000_SELFIES.jsonl.gz",
+   "data/Compound_145000001_145500000/Compound_145000001_145500000_SELFIES.jsonl.gz",
+   "data/Compound_163000001_163500000/Compound_163000001_163500000_SELFIES.jsonl.gz",
+   "data/Compound_067000001_067500000/Compound_067000001_067500000_SELFIES.jsonl.gz",
+   "data/Compound_083000001_083500000/Compound_083000001_083500000_SELFIES.jsonl.gz",
+   "data/Compound_068500001_069000000/Compound_068500001_069000000_SELFIES.jsonl.gz",
+   "data/Compound_020500001_021000000/Compound_020500001_021000000_SELFIES.jsonl.gz",
+   "data/Compound_046000001_046500000/Compound_046000001_046500000_SELFIES.jsonl.gz",
+   "data/Compound_096500001_097000000/Compound_096500001_097000000_SELFIES.jsonl.gz",
+   "data/Compound_081500001_082000000/Compound_081500001_082000000_SELFIES.jsonl.gz",
+   "data/Compound_108500001_109000000/Compound_108500001_109000000_SELFIES.jsonl.gz",
+   "data/Compound_085500001_086000000/Compound_085500001_086000000_SELFIES.jsonl.gz",
+   "data/Compound_119000001_119500000/Compound_119000001_119500000_SELFIES.jsonl.gz",
+   "data/Compound_090500001_091000000/Compound_090500001_091000000_SELFIES.jsonl.gz",
+   "data/Compound_036500001_037000000/Compound_036500001_037000000_SELFIES.jsonl.gz",
+   "data/Compound_130500001_131000000/Compound_130500001_131000000_SELFIES.jsonl.gz",
+   "data/Compound_121500001_122000000/Compound_121500001_122000000_SELFIES.jsonl.gz",
+   "data/Compound_113500001_114000000/Compound_113500001_114000000_SELFIES.jsonl.gz",
+   "data/Compound_145500001_146000000/Compound_145500001_146000000_SELFIES.jsonl.gz",
+   "data/Compound_041500001_042000000/Compound_041500001_042000000_SELFIES.jsonl.gz",
+   "data/Compound_083500001_084000000/Compound_083500001_084000000_SELFIES.jsonl.gz",
+   "data/Compound_052000001_052500000/Compound_052000001_052500000_SELFIES.jsonl.gz",
+   "data/Compound_140500001_141000000/Compound_140500001_141000000_SELFIES.jsonl.gz",
+   "data/Compound_154000001_154500000/Compound_154000001_154500000_SELFIES.jsonl.gz",
+   "data/Compound_044000001_044500000/Compound_044000001_044500000_SELFIES.jsonl.gz",
+   "data/Compound_002000001_002500000/Compound_002000001_002500000_SELFIES.jsonl.gz",
+   "data/Compound_010500001_011000000/Compound_010500001_011000000_SELFIES.jsonl.gz",
+   "data/Compound_073000001_073500000/Compound_073000001_073500000_SELFIES.jsonl.gz",
+   "data/Compound_048500001_049000000/Compound_048500001_049000000_SELFIES.jsonl.gz",
+   "data/Compound_032000001_032500000/Compound_032000001_032500000_SELFIES.jsonl.gz",
+   "data/Compound_026500001_027000000/Compound_026500001_027000000_SELFIES.jsonl.gz",
+   "data/Compound_112500001_113000000/Compound_112500001_113000000_SELFIES.jsonl.gz",
+   "data/Compound_069500001_070000000/Compound_069500001_070000000_SELFIES.jsonl.gz",
+   "data/Compound_110000001_110500000/Compound_110000001_110500000_SELFIES.jsonl.gz",
+   "data/Compound_156000001_156500000/Compound_156000001_156500000_SELFIES.jsonl.gz",
+   "data/Compound_037000001_037500000/Compound_037000001_037500000_SELFIES.jsonl.gz",
+   "data/Compound_130000001_130500000/Compound_130000001_130500000_SELFIES.jsonl.gz",
+   "data/Compound_051000001_051500000/Compound_051000001_051500000_SELFIES.jsonl.gz",
+   "data/Compound_093500001_094000000/Compound_093500001_094000000_SELFIES.jsonl.gz",
+   "data/Compound_149500001_150000000/Compound_149500001_150000000_SELFIES.jsonl.gz",
+   "data/Compound_158500001_159000000/Compound_158500001_159000000_SELFIES.jsonl.gz",
+   "data/Compound_074500001_075000000/Compound_074500001_075000000_SELFIES.jsonl.gz",
+   "data/Compound_053500001_054000000/Compound_053500001_054000000_SELFIES.jsonl.gz",
+   "data/Compound_160500001_161000000/Compound_160500001_161000000_SELFIES.jsonl.gz",
+   "data/Compound_022500001_023000000/Compound_022500001_023000000_SELFIES.jsonl.gz",
+   "data/Compound_118500001_119000000/Compound_118500001_119000000_SELFIES.jsonl.gz",
+   "data/Compound_025000001_025500000/Compound_025000001_025500000_SELFIES.jsonl.gz",
+   "data/Compound_128500001_129000000/Compound_128500001_129000000_SELFIES.jsonl.gz",
+   "data/Compound_080500001_081000000/Compound_080500001_081000000_SELFIES.jsonl.gz",
+   "data/Compound_080000001_080500000/Compound_080000001_080500000_SELFIES.jsonl.gz",
+   "data/Compound_101000001_101500000/Compound_101000001_101500000_SELFIES.jsonl.gz",
+   "data/Compound_136500001_137000000/Compound_136500001_137000000_SELFIES.jsonl.gz",
+   "data/Compound_033500001_034000000/Compound_033500001_034000000_SELFIES.jsonl.gz",
+   "data/Compound_048000001_048500000/Compound_048000001_048500000_SELFIES.jsonl.gz",
+   "data/Compound_032500001_033000000/Compound_032500001_033000000_SELFIES.jsonl.gz",
+   "data/Compound_093000001_093500000/Compound_093000001_093500000_SELFIES.jsonl.gz",
+   "data/Compound_123000001_123500000/Compound_123000001_123500000_SELFIES.jsonl.gz",
+   "data/Compound_133000001_133500000/Compound_133000001_133500000_SELFIES.jsonl.gz",
+   "data/Compound_090000001_090500000/Compound_090000001_090500000_SELFIES.jsonl.gz",
+   "data/Compound_042500001_043000000/Compound_042500001_043000000_SELFIES.jsonl.gz",
+   "data/Compound_127000001_127500000/Compound_127000001_127500000_SELFIES.jsonl.gz",
+   "data/Compound_125000001_125500000/Compound_125000001_125500000_SELFIES.jsonl.gz",
+   "data/Compound_138500001_139000000/Compound_138500001_139000000_SELFIES.jsonl.gz",
+   "data/Compound_001000001_001500000/Compound_001000001_001500000_SELFIES.jsonl.gz",
+   "data/Compound_099000001_099500000/Compound_099000001_099500000_SELFIES.jsonl.gz",
+   "data/Compound_002500001_003000000/Compound_002500001_003000000_SELFIES.jsonl.gz",
+   "data/Compound_019500001_020000000/Compound_019500001_020000000_SELFIES.jsonl.gz",
+   "data/Compound_047500001_048000000/Compound_047500001_048000000_SELFIES.jsonl.gz",
+   "data/Compound_097000001_097500000/Compound_097000001_097500000_SELFIES.jsonl.gz",
+   "data/Compound_070500001_071000000/Compound_070500001_071000000_SELFIES.jsonl.gz",
+   "data/Compound_125500001_126000000/Compound_125500001_126000000_SELFIES.jsonl.gz",
+   "data/Compound_064500001_065000000/Compound_064500001_065000000_SELFIES.jsonl.gz",
+   "data/Compound_157000001_157500000/Compound_157000001_157500000_SELFIES.jsonl.gz",
+   "data/Compound_087000001_087500000/Compound_087000001_087500000_SELFIES.jsonl.gz",
+   "data/Compound_071000001_071500000/Compound_071000001_071500000_SELFIES.jsonl.gz",
+   "data/Compound_119500001_120000000/Compound_119500001_120000000_SELFIES.jsonl.gz",
+   "data/Compound_044500001_045000000/Compound_044500001_045000000_SELFIES.jsonl.gz",
+   "data/Compound_016000001_016500000/Compound_016000001_016500000_SELFIES.jsonl.gz",
+   "data/Compound_095500001_096000000/Compound_095500001_096000000_SELFIES.jsonl.gz",
+   "data/Compound_092500001_093000000/Compound_092500001_093000000_SELFIES.jsonl.gz",
+   "data/Compound_000500001_001000000/Compound_000500001_001000000_SELFIES.jsonl.gz",
+   "data/Compound_059500001_060000000/Compound_059500001_060000000_SELFIES.jsonl.gz",
+   "data/Compound_016500001_017000000/Compound_016500001_017000000_SELFIES.jsonl.gz",
+   "data/Compound_061000001_061500000/Compound_061000001_061500000_SELFIES.jsonl.gz",
+   "data/Compound_101500001_102000000/Compound_101500001_102000000_SELFIES.jsonl.gz",
+   "data/Compound_028500001_029000000/Compound_028500001_029000000_SELFIES.jsonl.gz",
+   "data/Compound_042000001_042500000/Compound_042000001_042500000_SELFIES.jsonl.gz",
+   "data/Compound_152000001_152500000/Compound_152000001_152500000_SELFIES.jsonl.gz",
+   "data/Compound_122500001_123000000/Compound_122500001_123000000_SELFIES.jsonl.gz",
+   "data/Compound_150500001_151000000/Compound_150500001_151000000_SELFIES.jsonl.gz",
+   "data/Compound_142500001_143000000/Compound_142500001_143000000_SELFIES.jsonl.gz",
+   "data/Compound_162000001_162500000/Compound_162000001_162500000_SELFIES.jsonl.gz",
+   "data/Compound_053000001_053500000/Compound_053000001_053500000_SELFIES.jsonl.gz",
+   "data/Compound_104000001_104500000/Compound_104000001_104500000_SELFIES.jsonl.gz",
+   "data/Compound_084500001_085000000/Compound_084500001_085000000_SELFIES.jsonl.gz",
+   "data/Compound_140000001_140500000/Compound_140000001_140500000_SELFIES.jsonl.gz",
+   "data/Compound_160000001_160500000/Compound_160000001_160500000_SELFIES.jsonl.gz",
+   "data/Compound_126000001_126500000/Compound_126000001_126500000_SELFIES.jsonl.gz",
+   "data/Compound_153500001_154000000/Compound_153500001_154000000_SELFIES.jsonl.gz",
+   "data/Compound_134500001_135000000/Compound_134500001_135000000_SELFIES.jsonl.gz",
+   "data/Compound_063500001_064000000/Compound_063500001_064000000_SELFIES.jsonl.gz",
+   "data/Compound_109500001_110000000/Compound_109500001_110000000_SELFIES.jsonl.gz",
+   "data/Compound_137500001_138000000/Compound_137500001_138000000_SELFIES.jsonl.gz",
+   "data/Compound_085000001_085500000/Compound_085000001_085500000_SELFIES.jsonl.gz",
+   "data/Compound_024500001_025000000/Compound_024500001_025000000_SELFIES.jsonl.gz",
+   "data/Compound_116000001_116500000/Compound_116000001_116500000_SELFIES.jsonl.gz",
+   "data/Compound_006000001_006500000/Compound_006000001_006500000_SELFIES.jsonl.gz",
+   "data/Compound_128000001_128500000/Compound_128000001_128500000_SELFIES.jsonl.gz",
+   "data/Compound_121000001_121500000/Compound_121000001_121500000_SELFIES.jsonl.gz",
+   "data/Compound_150000001_150500000/Compound_150000001_150500000_SELFIES.jsonl.gz",
+   "data/Compound_124000001_124500000/Compound_124000001_124500000_SELFIES.jsonl.gz",
+   "data/Compound_111500001_112000000/Compound_111500001_112000000_SELFIES.jsonl.gz",
+   "data/Compound_148000001_148500000/Compound_148000001_148500000_SELFIES.jsonl.gz",
+   "data/Compound_006500001_007000000/Compound_006500001_007000000_SELFIES.jsonl.gz",
+   "data/Compound_033000001_033500000/Compound_033000001_033500000_SELFIES.jsonl.gz",
+   "data/Compound_096000001_096500000/Compound_096000001_096500000_SELFIES.jsonl.gz",
+   "data/Compound_038000001_038500000/Compound_038000001_038500000_SELFIES.jsonl.gz",
+   "data/Compound_124500001_125000000/Compound_124500001_125000000_SELFIES.jsonl.gz",
+   "data/Compound_050500001_051000000/Compound_050500001_051000000_SELFIES.jsonl.gz",
+   "data/Compound_003000001_003500000/Compound_003000001_003500000_SELFIES.jsonl.gz",
+   "data/Compound_073500001_074000000/Compound_073500001_074000000_SELFIES.jsonl.gz",
+   "data/Compound_023000001_023500000/Compound_023000001_023500000_SELFIES.jsonl.gz",
+   "data/Compound_060500001_061000000/Compound_060500001_061000000_SELFIES.jsonl.gz",
+   "data/Compound_054000001_054500000/Compound_054000001_054500000_SELFIES.jsonl.gz"
 ]
 class PubchemSelfies(datasets.GeneratorBasedBuilder):
+    """A dataset of PubChem molecules represented as SELFIES."""
     VERSION = datasets.Version("1.1.0")
     # You will be able to load one or the other configurations in the following list with
     BUILDER_CONFIG = datasets.BuilderConfig(
+        version=VERSION, description="A dataset of PubChem molecules represented as SELFIES."
+    )
     def _info(self):
         return datasets.DatasetInfo(
             # Homepage of the dataset for documentation
             homepage=_HOMEPAGE,
             # License for the dataset if available
+            license=_LICENSE,
             # Citation for the dataset
             citation=_CITATION,
         )
     def _split_generators(self, dl_manager):
+        downloaded_files = dl_manager.download(FILES)
+        train_len = int(len(downloaded_files) * 0.8)
+        valid_len = int(len(downloaded_files) * 0.1)
         return [
             datasets.SplitGenerator(
                 name=datasets.Split.TRAIN,
                 # These kwargs will be passed to _generate_examples
                 gen_kwargs={
+                    "subdirs": downloaded_files[:train_len],
                     "split": "train",
                 },
             ),
                 name=datasets.Split.VALIDATION,
                 # These kwargs will be passed to _generate_examples
                 gen_kwargs={
+                    "subdirs": downloaded_files[train_len : train_len + valid_len],
                     "split": "valid",
                 },
             ),
                 name=datasets.Split.TEST,
                 # These kwargs will be passed to _generate_examples
                 gen_kwargs={
+                    "subdirs": downloaded_files[-valid_len:],
                     "split": "test",
                 },
             ),
     # method parameters are unpacked from `gen_kwargs` as given in `_split_generators`
     def _generate_examples(self, subdirs, split):
         # The `key` is for legacy reasons (tfds) and is not important in itself, but must be unique for each example.
+        for filepath in subdirs:
             with gzip.open(filepath, mode="rt") as f:
                 rows = f.readlines()
             for key, row in enumerate(rows):