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OneScience-Group
/
SurfDock
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OneScience
18
English
OneScience
SCNet
DCU
protein-ligand-docking
virtual-screening
diffusion-model
License:
mit
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SurfDock
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model
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comp_surface
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prepare_target
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anzhi2710gmailcom
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default_config
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input_output
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triangulation
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__init_.py
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computeAPBS.py
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computeCharges.py
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computeHydrophobicity.py
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computeMSMS.py
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computeTargetMesh.py
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computeTargetMesh_test_samples.py
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compute_normal.py
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fix_pdb.py
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fixmesh.py
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mol2graph.py
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save_ply.py
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