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OneScience-Group
/
SurfDock

English
OneScience
SCNet
DCU
protein-ligand-docking
virtual-screening
diffusion-model
Model card Files Files and versions
xet
Community
SurfDock / model /comp_surface /prepare_target
90.1 kB
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  • 1 contributor
History: 1 commit
anzhi2710gmailcom's picture
anzhi2710gmailcom
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  • default_config
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  • input_output
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  • triangulation
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  • __init_.py
    0 Bytes
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  • computeAPBS.py
    3.81 kB
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  • computeCharges.py
    8.07 kB
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  • computeHydrophobicity.py
    815 Bytes
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  • computeMSMS.py
    1.82 kB
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  • computeTargetMesh.py
    12.1 kB
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  • computeTargetMesh_test_samples.py
    12.8 kB
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  • compute_normal.py
    2.22 kB
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  • fix_pdb.py
    470 Bytes
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  • fixmesh.py
    2.36 kB
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  • mol2graph.py
    6.44 kB
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  • save_ply.py
    1.86 kB
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