datamol.io

molecular modeling made easy

The molecular space

Pinned Repositories

.github
0 2 00
datamol
Molecular Processing Made Easy.
Language:Python482 15 10953
graphium
Graphium: Scaling molecular GNNs to infinity.
Language:Python218 5 20412
medchem
Molecular filtering for drug discovery.
Language:Python54 4 146
molfeat
molfeat - the hub for all your molecular featurizers
Language:Python198 9 5421
molfeat-padel
A molfeat plugin that adds support for PaDEL descriptors
Language:Python7 2 01
safe
A single model for all your molecular design tasks
Language:Python108 8 2911
splito
Machine Learning dataset splitting for life sciences.
Language:Python27 7 112

datamol.io's Repositories

datamol-io/datamol
Molecular Processing Made Easy.
Language:Python482 15 10953
datamol-io/graphium
Graphium: Scaling molecular GNNs to infinity.
Language:Python218 5 20412
datamol-io/molfeat
molfeat - the hub for all your molecular featurizers
Language:Python198 9 5421
datamol-io/safe
A single model for all your molecular design tasks
Language:Python108 8 2911
datamol-io/medchem
Molecular filtering for drug discovery.
Language:Python54 4 146
datamol-io/splito
Machine Learning dataset splitting for life sciences.
Language:Python27 7 112
datamol-io/molfeat-padel
A molfeat plugin that adds support for PaDEL descriptors
Language:Python7 2 01
datamol-io/.github
0 2 00