7 projects
medchem
Medchem: Molecular filtering for drug discovery.
polaris-lib
Client for the Polaris Hub.
safe-mol
Implementation of the 'Gotta be SAFE: a new framework for molecular design' paper
auroris
Data Curation in Polaris
graphium
Graphium: Scaling molecular GNNs to infinity.
splito
Machine Learning dataset splitting for life sciences.
datamol
A python library to work with molecules. Built on top of RDKit.
