aligfellow /xyzrender
Molecular graphics rendering
★ 609 · Updated 2mo ago · MIT
bioq: a unified, agent-native command-line interface to a fleet of AI drug-discovery methods
The paper or list names a code repository. The repository itself was not opened.
The year the source list gave; the exact date was not checked.
aligfellow /xyzrender
Molecular graphics rendering
★ 609 · Updated 2mo ago · MIT
mordred-descriptor /Mordred
Molecular descriptor calculation
★ 481 · Updated 2y ago · BSD-3
CDDLeiden /QSPRpred
QSPR/QSAR model building
★ 96 · Updated 6w ago · MIT
bioinf-jku /FCD : Fréchet ChemNet Distance
Molecular generative model quality metric
★ 91 · Updated 2y ago · LGPL-3
Post-processing workflow for generated molecules
★ 62 · Updated 3y ago · Apache
mqcomplab /NAMI
Chemical space visualization
★ 28 · Updated 2mo ago · MIT