├── .gitignore ├── MANIFEST.in ├── README.md ├── aimnet ├── __init__.py ├── aev.py ├── cli.py ├── config.py ├── constants.py ├── d3bj_data.pt ├── data │ ├── __init__.py │ └── sgdataset.py ├── models │ ├── __init__.py │ ├── aimnet2.py │ ├── aimnet2.yaml │ ├── aimnet2_lite.yaml │ └── base.py ├── modules.py ├── nbops.py ├── ops.py └── train │ ├── __init__.py │ ├── calc_sae.py │ ├── default_train.yaml │ ├── loss.py │ ├── metrics.py │ ├── pt2jpt.py │ ├── train.md │ ├── train.py │ └── utils.py ├── input.md ├── requirements.txt └── setup.py /.gitignore: -------------------------------------------------------------------------------- 1 | *.pyc 2 | .fleet 3 | .history 4 | __pycache__ 5 | .vscode 6 | -------------------------------------------------------------------------------- /MANIFEST.in: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zubatyuk/aimnet2/HEAD/MANIFEST.in 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