scikit-fingerprints

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morgul10 

updated 2 datasets 3 months ago

scikit-fingerprints/LRGB_Peptides-struct

Viewer • Updated Oct 11, 2024 • 15.5k • 153

scikit-fingerprints/LRGB_Peptides-func

Viewer • Updated Oct 11, 2024 • 15.5k • 150

morgul10 

updated 12 datasets 6 months ago

scikit-fingerprints/MoleculeNet_PCBA

Viewer • Updated Jul 18, 2024 • 438k • 158

scikit-fingerprints/MoleculeNet_ToxCast

Viewer • Updated Jul 18, 2024 • 8.58k • 159

scikit-fingerprints/MoleculeNet_Tox21

Viewer • Updated Jul 18, 2024 • 7.83k • 173

scikit-fingerprints/MoleculeNet_SIDER

Viewer • Updated Jul 18, 2024 • 1.43k • 160

scikit-fingerprints/MoleculeNet_MUV

Viewer • Updated Jul 18, 2024 • 93.1k • 158

scikit-fingerprints/MoleculeNet_ClinTox

Viewer • Updated Jul 18, 2024 • 1.48k • 157

scikit-fingerprints/MoleculeNet_HIV

Viewer • Updated Jul 18, 2024 • 41.1k • 153

scikit-fingerprints/MoleculeNet_BBBP

Viewer • Updated Jul 18, 2024 • 2.04k • 155

scikit-fingerprints/MoleculeNet_Lipophilicity

Viewer • Updated Jul 18, 2024 • 4.2k • 165

scikit-fingerprints/MoleculeNet_FreeSolv

Viewer • Updated Jul 18, 2024 • 642 • 158

scikit-fingerprints/MoleculeNet_ESOL

Viewer • Updated Jul 18, 2024 • 1.13k • 197 • 1

scikit-fingerprints/MoleculeNet_BACE

Viewer • Updated Jul 18, 2024 • 1.51k • 160