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@insilichem

InsiliChem

Computational solutions for chemobiotechnology

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  1. gaudi gaudi Public

    GaudiMM: A modular optimization platform for molecular design

    Python 32 14

  2. biometall biometall Public

    BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization.

    Python 13

  3. talaia talaia Public

    Simplistic 3D dictionary of amino acids using geometric shapes for UCSF Chimera

    Python 8

  4. ommprotocol ommprotocol Public

    A command line application to launch molecular dynamics simulations with OpenMM

    Python 41 8

  5. garleek garleek Public

    ↪️ QM/MM interfacing in Python ↩️

    Python 10 6

  6. pychimera pychimera Public

    Use UCSF Chimera Python API in a standard interpreter

    Python 59 10

Repositories

Showing 10 of 45 repositories
  • Gephyra Public

    Perform a comparative and integrative analysis for a new hybrid algorithm for water bridge detection.

    insilichem/Gephyra's past year of commit activity
    Python 0 0 0 0 Updated Jul 23, 2026
  • biometallv2 Public

    BioMetAll v2.0: Introducing Scores, Metal Discrimination, and Side-Chain Descriptors for Predicting Metal-Binding Sites in Proteins.

    insilichem/biometallv2's past year of commit activity
    Python 3 LGPL-3.0 1 0 1 Updated Jul 9, 2026
  • biometall Public

    BioMetAll is a command line application to allow the identification of metal-binding sites in proteins from backbone preorganization.

    insilichem/biometall's past year of commit activity
    Python 13 LGPL-3.0 0 3 0 Updated Jun 9, 2026
  • insilichem_com Public

    InsiliChem website, powered by Hugo and Netlify

    insilichem/insilichem_com's past year of commit activity
    HTML 0 0 1 0 Updated May 22, 2026
  • BioBrigit Public

    BioBrigit: Hybrid machine learning and knowledge-based approach for the prediction of metal diffusion pathways through proteins

    insilichem/BioBrigit's past year of commit activity
    Python 2 0 0 0 Updated Apr 10, 2026
  • utils_PpDyP Public

    Scripts used in pulished papers

    insilichem/utils_PpDyP's past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Oct 1, 2024
  • gpathfinder Public

    Identification of ligand binding pathways by a multi-objective genetic algorithm

    insilichem/gpathfinder's past year of commit activity
    Python 5 LGPL-3.0 1 2 0 Updated Sep 25, 2024
  • utils_water_networks Public

    Scripts used for the analysis and data generation of GH3 HvExoI water networks

    insilichem/utils_water_networks's past year of commit activity
    Python 0 0 0 0 Updated Aug 1, 2024
  • catalytic_amyloids Public
    insilichem/catalytic_amyloids's past year of commit activity
    Python 0 LGPL-3.0 0 0 0 Updated Jun 18, 2024
  • talaia Public

    Simplistic 3D dictionary of amino acids using geometric shapes for UCSF Chimera

    insilichem/talaia's past year of commit activity
    Python 8 LGPL-3.0 0 0 0 Updated May 10, 2024
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