PyRank

Molecular Property Prediction Python Packages

Python packages with the GitHub topic molecular-property-prediction. Sorted by relevance, with stars and monthly downloads.
maxischuh
twinbooster

Package for TwinBooster. Enables fast and powerful zero-shot molecular property prediction.

414 6 1
dohlee
sac2021

5th solution for Samsung AI Challenge for Scientific Discovery (2021)

133 4 0
mrodobbe
chemperium

Machine learning for molecular property prediction

107 9 3
Yinghao-Li
muben

MUBen: Benchmarking the Uncertainty of Molecular Representation Models

66 7 0