├── .gitattributes ├── .gitignore ├── MANIFEST.in ├── README.md ├── __init__.py ├── drxnet ├── __init__.py ├── core.py ├── data │ ├── __init__.py │ ├── data.py │ ├── el-embeddings │ │ ├── __init__.py │ │ └── matscholar-embedding.json │ ├── generator.py │ └── processor.py ├── drxnet │ ├── __init__.py │ ├── model.py │ └── test_funciton.py ├── funciton.py ├── pretrained │ ├── model_0 │ ├── model_1 │ ├── model_2 │ ├── model_3 │ └── model_4 ├── segments.py └── utils.py ├── examples ├── [1]-predict_LMOF_chemical_space.ipynb ├── [2]-predict_HE-DRX.ipynb └── train_example │ ├── dataset │ └── LMTO_example.csv │ └── train_LMTO.py ├── git-drxnet.png └── setup.py /.gitattributes: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/zhongpc/drxnet/HEAD/.gitattributes -------------------------------------------------------------------------------- /.gitignore: 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