├── .gitignore ├── LICENSE ├── README.md ├── ae_datasets ├── __init__.py ├── d_creator.py ├── d_selector.py └── dataloader.py ├── eval.py ├── graph.py ├── losess.py ├── main_ae.py ├── main_nbody.py ├── main_qm9.py ├── models ├── __init__.py ├── ae.py ├── egnn.png ├── egnn_clean │ ├── __init__.py │ └── egnn_clean.py └── gcl.py ├── n_body_system ├── __init__.py ├── dataloader.py ├── dataset │ ├── __init__.py │ ├── generate_dataset.py │ ├── script.sh │ └── synthetic_sim.py ├── dataset_nbody.py ├── model.py ├── post_process.py └── se3_dynamics │ ├── __init__.py │ ├── dynamics.py │ ├── equivariant_attention │ ├── __init__.py │ ├── fibers.py │ ├── from_se3cnn │ │ ├── SO3.py │ │ ├── __init__.py │ │ ├── cache_file.py │ │ ├── license.txt │ │ ├── representations.py │ │ └── utils_steerable.py │ ├── modules.py │ └── ops.py │ ├── models.py │ └── utils │ ├── __init__.py │ └── utils_profiling.py ├── qm9 ├── __init__.py ├── args.py ├── data │ ├── __init__.py │ ├── collate.py │ ├── dataset.py │ ├── prepare │ │ ├── Readme.md │ │ ├── __init__.py │ │ ├── download.py │ │ ├── md17.py │ │ ├── process.py │ │ ├── qm9.py │ │ └── utils.py │ └── utils.py ├── dataset.py ├── models.py └── utils.py └── utils.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/vgsatorras/egnn/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/vgsatorras/egnn/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/vgsatorras/egnn/HEAD/README.md -------------------------------------------------------------------------------- /ae_datasets/__init__.py: 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