Pinned Repositories
cdvae-old
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
chemprop
Message Passing Neural Networks for Molecule Property Prediction
CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology
Eunomia
Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
AI4ChemS - Moosavi Group at the University of Toronto's Repositories
AI4ChemS/Eunomia
Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts
AI4ChemS/cdvae-old
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
AI4ChemS/chemprop
Message Passing Neural Networks for Molecule Property Prediction
AI4ChemS/CrystalNets.jl
A julia package for the manipulation of crystal net representations and topology