AI4ChemS - Moosavi Group at the University of Toronto's repositories
chemprop
Message Passing Neural Networks for Molecule Property Prediction
NOASSERTION000
CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology
Language:JuliaMIT000
cdvae-old
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
MIT000