1.datamol-io / datamol
Molecular Processing Made Easy.
+18 stars
from 539 · score 2.94
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2.awslabs / dgl-lifesci
Python package for graph neural networks in chemistry and biology
+5 stars
from 807 · score 1.79
3.mcs07 / MolVS
Molecule Validation and Standardization
+4 stars
from 185 · score 1.61
4.doyle-lab-ucla / auto-qchem
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
+4 stars
from 129 · score 1.61
5.MolecularAI / ReinventArchived
No description provided by the repository host.
+2 stars
from 376 · score 1.10
6.samoturk / mol2vecArchived
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
+1 stars
from 293 · score 0.69