scikit-fingerprints

community

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

scikit-fingerprints

AI & ML interests

None defined yet.

models

None public yet

datasets 14

scikit-fingerprints/LRGB_Peptides-struct

Viewer • Updated 22 days ago • 15.5k • 350

scikit-fingerprints/LRGB_Peptides-func

Viewer • Updated 22 days ago • 15.5k • 359

scikit-fingerprints/MoleculeNet_PCBA

Viewer • Updated Jul 18 • 438k • 863

scikit-fingerprints/MoleculeNet_ToxCast

Viewer • Updated Jul 18 • 8.58k • 863

scikit-fingerprints/MoleculeNet_Tox21

Viewer • Updated Jul 18 • 7.83k • 862

scikit-fingerprints/MoleculeNet_SIDER

Viewer • Updated Jul 18 • 1.43k • 862

scikit-fingerprints/MoleculeNet_MUV

Viewer • Updated Jul 18 • 93.1k • 865

scikit-fingerprints/MoleculeNet_ClinTox

Viewer • Updated Jul 18 • 1.48k • 867

scikit-fingerprints/MoleculeNet_HIV

Viewer • Updated Jul 18 • 41.1k • 872

scikit-fingerprints/MoleculeNet_BBBP

Viewer • Updated Jul 18 • 2.04k • 864