Pinned Repositories
.github
datamol
Molecular Processing Made Easy.
graphium
Graphium: Scaling molecular GNNs to infinity.
medchem
Molecular filtering for drug discovery.
molfeat
molfeat - the hub for all your molecular featurizers
molfeat-padel
A molfeat plugin that adds support for PaDEL descriptors
safe
A single model for all your molecular design tasks
splito
Machine Learning dataset splitting for life sciences.
datamol.io's Repositories
datamol-io/datamol
Molecular Processing Made Easy.
datamol-io/graphium
Graphium: Scaling molecular GNNs to infinity.
datamol-io/molfeat
molfeat - the hub for all your molecular featurizers
datamol-io/safe
A single model for all your molecular design tasks
datamol-io/medchem
Molecular filtering for drug discovery.
datamol-io/splito
Machine Learning dataset splitting for life sciences.
datamol-io/molfeat-padel
A molfeat plugin that adds support for PaDEL descriptors
datamol-io/.github