datamol-io/safe-gpt
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yaniguan/ocsr-dataset
Viewer • Updated • 18.4k • 92 • 1
liuganghuggingface/moldata-qm9
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liuganghuggingface/molecular-datasets-index
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jglaser/binding_affinity
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jglaser/protein_ligand_contacts
Viewer • Updated • 20.8k • 169 • 9
jglaser/pdbbind_complexes
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jglaser/pdb_protein_ligand_complexes
Updated • 347 • 7
djh992/pdbbind_complex_GB2022
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alxfgh/PubChem10M_SELFIES
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alxfgh/PubChem10M_SELFIES_Tokenized
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mproszewska/B-XAIC
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molvision/BACE-V-SMILES-2
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molport/In-stock-Database
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molport/In-stock-Building-Block-Database
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molport/In-stock-Screening-Compound-Database
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molport/Drug-like-Compound-Library
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molvision/BBBP-V-SMILES-2
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molvision/BACE-V-SMILES-4
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molvision/BBBP-V-SMILES-4
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molvision/CLINTOX-V-SMILES-2
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molvision/CLINTOX-V-SMILES-4
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Derify/antimalarial-classification
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Derify/cocrystal-classification
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Derify/covid-19-classification
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molvision/TOX21-V-SMILES-2
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molvision/TOX21-V-SMILES-4
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molvision/ESOL-V-SMILES-2
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molvision/ESOL-V-SMILES-4
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molvision/ESOL-V-SMILES-0
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