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 |  |
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 |