maomlab/AttentiveSkin
Viewer • Updated • 4.42k • 105 • 1
ChemPile
Collection of curated molecular datasets for learning bioactivity and training chemistry ML models
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maomlab/AqSolDB
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maomlab/B3DB
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maomlab/MutagenLou2023
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maomlab/HematoxLong2023
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maomlab/HLM_RLM
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ymanasa2000/DrugMap_Ligandability
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maomlab/Molecule3D
Viewer • Updated • 7.8M • 1.5k -
maomlab/MolData
Viewer • Updated • 168M • 146 • 1 -
maomlab/IUPAC_pKa
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maomlab/FSMol
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maomlab/TDC
Updated • 140