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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 12 1

  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

Repositories

Showing 10 of 15 repositories
  • MLNanoShaper.jl Public
    concept-lab/MLNanoShaper.jl’s past year of commit activity
    Julia 0 MIT 1 0 1 Updated Apr 11, 2025
  • MLNanoShaperRunner.jl Public
    concept-lab/MLNanoShaperRunner.jl’s past year of commit activity
    Julia 0 MIT 1 0 0 Updated Apr 11, 2025
  • NextGenPB Public Forked from vdiflorio/NextGenPB
    concept-lab/NextGenPB’s past year of commit activity
    C++ 0 GPL-3.0 1 0 0 Updated Apr 7, 2025
  • Analytical_Electrostatics Public Forked from vdiflorio/Analytical_Electrostatics
    concept-lab/Analytical_Electrostatics’s past year of commit activity
    MATLAB 0 GPL-3.0 1 0 0 Updated Feb 13, 2025
  • AbAgInterface Public
    concept-lab/AbAgInterface’s past year of commit activity
    Jupyter Notebook 4 3 1 0 Updated Oct 31, 2023
  • SiteFerret Public

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

    concept-lab/SiteFerret’s past year of commit activity
    Jupyter Notebook 12 GPL-3.0 1 0 0 Updated Mar 22, 2023
  • NS_pocket Public Forked from lucagl/NS_pocket

    Python interface for the pocket detection method of the NanoShaper software with volume ranking

    concept-lab/NS_pocket’s past year of commit activity
    Python 0 GPL-3.0 1 0 0 Updated Oct 30, 2022
  • arvoPY Public

    Python interface to compute the analytic volume and area of an ensemble of overlapping spheres via the ARVO method

    concept-lab/arvoPY’s past year of commit activity
    C 0 GPL-3.0 0 0 0 Updated Oct 25, 2022
  • 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. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .

    concept-lab/MOAD_ligandFinder’s past year of commit activity
    Python 1 MIT 4 0 0 Updated Oct 13, 2022
  • shrec22_PLBinding_evaluationTools Public

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

    concept-lab/shrec22_PLBinding_evaluationTools’s past year of commit activity
    C 1 0 0 0 Updated Aug 22, 2022
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