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MOAD_ligandFinder
MOAD_ligandFinder PublicForked from lucagl/MOAD_ligandFinder
a hopefully useful script able to extract from queried pdb structure(s) its validated ligands according to the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) f…
Python
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predicting_clinical_trials
predicting_clinical_trials PublicForked from gnsastry/predicting_clinical_trials
ML models for predicting the outcome of investigational small molecules.
Jupyter Notebook
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MPDS-Compound_Library
MPDS-Compound_Library PublicForked from gnsastry/MPDS-Compound_Library
Molecular Property Diagnostic Suite-Compound Library (MPDS-CL), is an open-source galaxy-based cheminformatics web-portal which presents a structure-based classification of the molecules.
Python
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