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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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utils
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1 commit
anzhi2710gmailcom
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diffusion_utils.py
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geometry.py
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inference_utils.py
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mdn_utils.py
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parsing.py
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protonate_tautomer.py
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sampling.py
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so3.py
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torsion.py
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torus.py
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training.py
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training_mdn.py
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utils.py
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visualise.py
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