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scikit-fingerprints

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https://github.com/scikit-fingerprints/scikit-fingerprints
scikit-fingerprints
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morgul10  updated a dataset 2 days ago
scikit-fingerprints/LRGB_Peptides-struct
morgul10  updated a dataset 2 days ago
scikit-fingerprints/LRGB_Peptides-func
kacperszo  updated a dataset about 1 month ago
scikit-fingerprints/litmus
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Jakub Adamczyk's profile picture piotr's profile picture Mateusz P's profile picture Kacper Szot's profile picture Maciek's profile picture

models 0

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datasets 82

scikit-fingerprints/LRGB_Peptides-struct

Viewer • Updated 2 days ago • 15.5k • 482

scikit-fingerprints/LRGB_Peptides-func

Viewer • Updated 2 days ago • 15.5k • 487

scikit-fingerprints/litmus

Preview • Updated Feb 12 • 640

scikit-fingerprints/MolPILE

Viewer • Updated Nov 3, 2025 • 238M • 211 • 2

scikit-fingerprints/MoleculeACE_chembl4792_ki

Viewer • Updated Oct 15, 2025 • 1.47k • 61

scikit-fingerprints/MoleculeACE_chembl4616_ec50

Viewer • Updated Oct 15, 2025 • 682 • 56

scikit-fingerprints/MoleculeACE_chembl4203_ki

Viewer • Updated Oct 15, 2025 • 731 • 94

scikit-fingerprints/MoleculeACE_chembl4005_ki

Viewer • Updated Oct 15, 2025 • 960 • 53

scikit-fingerprints/MoleculeACE_chembl3979_ec50

Viewer • Updated Oct 15, 2025 • 1.13k • 54

scikit-fingerprints/MoleculeACE_chembl2971_ki

Viewer • Updated Oct 15, 2025 • 976 • 49
View 82 datasets
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