txie-93/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
Researcher at Microsoft Research working on ML for materials discovery
Repositories
txie-93/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
txie-93/gdynet
Unsupervised learning of atomic scale dynamics from molecular dynamics.
txie-93/polymernet
txie-93/chemprop
Message Passing Neural Networks for Molecule Property Prediction