code & data

Research codes and open datasets

research codes

Date Name Paper Package GitHub
2021.10 CDVAE: an SE(3)-invariant autoencoder for generating the periodic structure of materials link CDVAE Star
2019.06 GDynets: unsupervised learning of atomic dynamical processes link gdynet Star
2018.03 CGCNN: graph neural networks designed for solid materials link cgcnn Star

These are codes from my past research. For more info: Follow @txie-93

open datasets

Date Name Paper Data link Related code
2021.10 Benchmark datasets for material generation link Download CDVAE
2019.05 MD trajectories for several amorphous solids link DOI:10.24435/materialscloud:2019.0017/v1 gdynet

These are open datasets from my past research.

open source projects that reimplement my code

Name Documentation GitHub
PyTorch Geometric link Star
XenonPy link Star
matminer link Star