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README.md
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num_examples: 3195733
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download_size: 611920741
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dataset_size: 7740140329
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- config_name: zinc-250k
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features:
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- name: mol_id
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data_files:
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- split: train
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path: pcqm4mv2-3d/train-*
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- config_name: zinc-250k
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data_files:
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- split: train
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num_examples: 3195733
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download_size: 611920741
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dataset_size: 7740140329
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- config_name: pcqm4mv2-smiles
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features:
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- name: mol_id
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dtype: int64
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- name: smiles
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dtype: string
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- name: target
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dtype: float32
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splits:
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- name: train
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num_bytes: 145209254
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num_examples: 3378606
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- name: validation
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num_bytes: 3185273
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num_examples: 73545
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- name: test_dev
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num_bytes: 6365708
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num_examples: 147037
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- name: test_challenge
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num_bytes: 6382455
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num_examples: 147432
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download_size: 70787253
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dataset_size: 161142690
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- config_name: zinc-250k
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features:
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- name: mol_id
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data_files:
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- split: train
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path: pcqm4mv2-3d/train-*
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- config_name: pcqm4mv2-smiles
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data_files:
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- split: train
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path: pcqm4mv2-smiles/train-*
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- split: validation
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path: pcqm4mv2-smiles/validation-*
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- split: test_dev
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path: pcqm4mv2-smiles/test_dev-*
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- split: test_challenge
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path: pcqm4mv2-smiles/test_challenge-*
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- config_name: zinc-250k
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data_files:
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- split: train
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pcqm4mv2-smiles/test_challenge-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:2e9f9d2a2e109866dbccdf15e8b4cd6d11938ed42310e4f9d1fa236f1132d80b
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size 3073875
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pcqm4mv2-smiles/test_dev-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:1454b6b2286fb7b7a62bbf279f298c5b11dcabe45d77bcdf9b2759e0d3ecd956
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size 3066903
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pcqm4mv2-smiles/train-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:fdc80d5ca5ae0d95332694ad0367c2b2a1b4a79dbbd619b48f71ed765f2ed849
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size 62918814
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pcqm4mv2-smiles/validation-00000-of-00001.parquet
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version https://git-lfs.github.com/spec/v1
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oid sha256:9040e92417ed26035265f2b2a0004adc18827b49e4d36e2cc3b86c92ef92463c
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size 1727661
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