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CONCEPT Lab @ IIT

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  1. SiteFerret SiteFerret Public

    Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest

    Jupyter Notebook 13 2

  2. shrec22_proteinLigandBenchmark shrec22_proteinLigandBenchmark Public

    Dataset and evalutaion tools of the Shrec 2022 contest on protein-ligand binding site recognition

    C 5

  3. AbAgInterface AbAgInterface Public

    Jupyter Notebook 4 3

  4. pdb2xyzr pdb2xyzr Public

    Python 1

  5. MOAD_ligandFinder MOAD_ligandFinder Public

    Forked from lucagl/MOAD_ligandFinder

    A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. T…

    Python 1

  6. shrec22_PLBinding_evaluationTools shrec22_PLBinding_evaluationTools Public

    Evalutaion tools of the Shrec 2022 contest on protein-ligand binding site recognition

    C 1

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