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maomlab 's Collections
Molcano
ChemPile
Eukaryotic Pathogen Co-Expression Networks

ChemPile

updated Aug 18

Collection of curated molecular datasets for learning bioactivity and training chemistry ML models

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  • maomlab/AttentiveSkin

    Viewer • Updated Jan 14 • 4.42k • 548

  • maomlab/AqSolDB

    Viewer • Updated Aug 1 • 9.98k • 133

  • maomlab/B3DB

    Viewer • Updated Aug 17 • 8.86k • 871 • 1

  • maomlab/MutagenLou2023

    Viewer • Updated May 19 • 10k • 1.88k

  • maomlab/HematoxLong2023

    Viewer • Updated Jun 11 • 2.38k • 566

  • maomlab/HLM_RLM

    Viewer • Updated Jun 11 • 11.6k • 2.47k

  • ymanasa2000/DrugMap_Ligandability

    Viewer • Updated Aug 19, 2024 • 118k • 31 • 4

  • maomlab/Molecule3D

    Viewer • Updated Aug 17 • 7.8M • 241

  • maomlab/MolData

    Viewer • Updated May 28 • 168M • 252 • 1

  • maomlab/IUPAC_pKa

    Viewer • Updated Feb 7 • 24.2k • 45

  • maomlab/FSMol

    Viewer • Updated Aug 17 • 5.1M • 53

  • maomlab/TDC

    Updated Aug 18 • 43
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