├── .flake8 ├── .gitignore ├── README.md ├── bench.py ├── nequip_jax ├── __init__.py ├── filter_layers.py ├── nequip.py ├── nequip_escn.py └── radial.py ├── setup.cfg ├── setup.py └── test.py /.flake8: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/.flake8 -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | __pycache__ 2 | *.egg-info 3 | *.ipynb 4 | .vscode -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/README.md -------------------------------------------------------------------------------- /bench.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/bench.py -------------------------------------------------------------------------------- /nequip_jax/__init__.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/nequip_jax/__init__.py -------------------------------------------------------------------------------- /nequip_jax/filter_layers.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/nequip_jax/filter_layers.py -------------------------------------------------------------------------------- /nequip_jax/nequip.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/nequip_jax/nequip.py -------------------------------------------------------------------------------- /nequip_jax/nequip_escn.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/nequip_jax/nequip_escn.py -------------------------------------------------------------------------------- /nequip_jax/radial.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/nequip_jax/radial.py -------------------------------------------------------------------------------- /setup.cfg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/setup.cfg -------------------------------------------------------------------------------- /setup.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/setup.py -------------------------------------------------------------------------------- /test.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/mariogeiger/nequip-jax/HEAD/test.py --------------------------------------------------------------------------------