├── .github └── images │ ├── QM9_results.png │ ├── constellation.gif │ ├── constellations_results.png │ ├── data-efficiency-dynamics.png │ ├── model_diagram.png │ ├── rotating_molecule.gif │ ├── single_traj_n_train_400_steps_100_idx_3_chunk_len_100.gif │ ├── single_traj_n_train_400_steps_100_idx_3_chunk_len_100.png-1.png │ ├── single_traj_n_train_400_steps_100_idx_3_chunk_len_100_readme.gif │ └── time_rollout_1e4.png-1.png ├── .gitignore ├── .gitmodules ├── LICENSE.md ├── README.md ├── configs ├── __init__.py ├── constellation │ ├── __init__.py │ ├── constellation.py │ ├── eqv_transformer_model.py │ ├── se2_finite_transformer.py │ └── set_transformer.py ├── dynamics │ ├── eqv_transformer_model.py │ ├── hlie_resnet.py │ ├── nbody_dynamics_data.py │ ├── nonequiv_models.py │ └── spring_dynamics_data.py ├── mnist_data.py └── molecule │ ├── eqv_transformer_model.py │ ├── lie_resnet.py │ ├── qm9_data.py │ └── set_transformer.py ├── diagnostics └── invariance_error.py ├── eqv_transformer ├── __init__.py ├── attention.py ├── classfier.py ├── dynamics_predictor.py ├── eqv_attention.py ├── eqv_attention_se2_finite.py ├── kernels.py ├── modules.py ├── molecule_predictor.py ├── multihead_neural.py ├── neural.py ├── resnet.py ├── train_tools.py └── utils.py ├── requirements.txt ├── scripts ├── data_to_file.py ├── slurm_molecule_SE3lieconv.sh ├── slurm_molecule_SE3transformer.sh ├── train_constellation.py ├── train_dynamics.py ├── train_molecule.py ├── train_molecule_SE3lieconv.sh └── train_molecule_SE3transformer.sh ├── setup.py └── setup_virtualenv.sh /.github/images/QM9_results.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/oxcsml/lie-transformer/HEAD/.github/images/QM9_results.png -------------------------------------------------------------------------------- /.github/images/constellation.gif: -------------------------------------------------------------------------------- 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