scikit-fingerprints

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https://github.com/scikit-fingerprints/scikit-fingerprints

scikit-fingerprints

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Recent Activity

morgul10 updated a dataset 2 months ago

scikit-fingerprints/LRGB_Peptides-struct

morgul10 updated a dataset 2 months ago

scikit-fingerprints/LRGB_Peptides-func

morgul10 updated a dataset 5 months ago

scikit-fingerprints/MoleculeNet_PCBA

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models

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datasets 14

scikit-fingerprints/LRGB_Peptides-struct

Viewer • Updated Oct 11 • 15.5k • 387

scikit-fingerprints/LRGB_Peptides-func

Viewer • Updated Oct 11 • 15.5k • 399

scikit-fingerprints/MoleculeNet_PCBA

Viewer • Updated Jul 18 • 438k • 396

scikit-fingerprints/MoleculeNet_ToxCast

Viewer • Updated Jul 18 • 8.58k • 395

scikit-fingerprints/MoleculeNet_Tox21

Viewer • Updated Jul 18 • 7.83k • 411

scikit-fingerprints/MoleculeNet_SIDER

Viewer • Updated Jul 18 • 1.43k • 403

scikit-fingerprints/MoleculeNet_MUV

Viewer • Updated Jul 18 • 93.1k • 410

scikit-fingerprints/MoleculeNet_ClinTox

Viewer • Updated Jul 18 • 1.48k • 397

scikit-fingerprints/MoleculeNet_HIV

Viewer • Updated Jul 18 • 41.1k • 404

scikit-fingerprints/MoleculeNet_BBBP

Viewer • Updated Jul 18 • 2.04k • 414