├── .gitignore ├── LICENSE ├── README.md ├── bsite_extraction.py ├── features.py ├── lds ├── __init__.py ├── amul.py ├── amul_kernel_cube.cc ├── amul_kernel_cube.cu.cc ├── amul_kernel_cube_grad.cc ├── amul_kernel_cube_grad.cu.cc └── compile.sh ├── multi_predict.py ├── net ├── __init__.py ├── resnet_3d.py ├── resnet_3d_utils.py └── resnet_lds_3d_bottleneck.py ├── network.py ├── predict.py ├── protein.py ├── requirements.txt ├── test ├── 1a2kC.pdb ├── 1a4kH.pdb ├── 1eveA.pdb ├── 1oa8_A.pdb └── 4j2j_A.pdb ├── tfbio_data.py ├── training_subset_of_scpdb.proteins └── utils.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/stemylonas/DeepSurf/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/stemylonas/DeepSurf/HEAD/LICENSE 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