txie-93

Tian Xie's repositories

Crystal graph convolutional neural networks for predicting material properties.

Language:PythonMIT600 23 36

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

Language:PythonMIT202 3 48

Unsupervised learning of atomic scale dynamics from molecular dynamics.

Language:Jupyter NotebookMIT76 6 2

Language:Python1800

Message Passing Neural Networks for Molecule Property Prediction

Language:PythonMIT300