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@uibcdf Unit of Research on Computational Biology and Drug Design. Mexico Children's Hospital Federico Gómez.

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    143 repositories

    • molsysviewer

      Public
      A Mol*-powered 3D viewer for molecular systems, integrated naturally within the MolSysSuite ecosystem.
      JavaScript
      •
      Other
      •0•0•0•0•Updated Jan 12, 2026Jan 12, 2026

    • molsysmt

      Public
      Open source library to work with molecular systems
      pythonmolecular-dynamicsmolecular-simulationmolecular-dynamics-simulationmolecular-modelingmolecular-dynamics-trajectoriesmolsysmt
      Python
      •
      Other
      •3•13•32•0•Updated Jan 12, 2026Jan 12, 2026

    • molsys-ai

      Public
      MolSys-AI
      Python
      •0•0•0•0•Updated Jan 12, 2026Jan 12, 2026

    • molsys-ai-server

      Public
      MolSys-AI Server
      Python
      •
      Other
      •0•0•0•0•Updated Jan 12, 2026Jan 12, 2026

    • molsyssuite-talks

      Public
      MolSysSuite Talks
      Python
      •0•0•0•0•Updated Jan 7, 2026Jan 7, 2026

    • topomt

      Public
      A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets, cavities, channels, and binding sites.
      Jupyter Notebook
      •
      Other
      •0•0•2•0•Updated Jan 4, 2026Jan 4, 2026

    • molsyssuite-tutorials

      Public
      MolSysSuite Tutorials
      Python
      •0•0•0•0•Updated Jan 4, 2026Jan 4, 2026

    • molsyssuite-papers

      Public
      MolSysSuite Papers
      Python
      •0•0•0•0•Updated Jan 4, 2026Jan 4, 2026

    • molsys-ai-client

      Public
      MolSys-AI Client
      0•0•0•0•Updated Jan 4, 2026Jan 4, 2026

    • molsyssuite

      Public
      MolSysSuite
      0•0•0•0•Updated Jan 4, 2026Jan 4, 2026

    • py-mmcif

      Public
      Fork of rcsb/py-mmcif to provide conda packaging
      C++
      •
      Other
      •14•0•0•0•Updated Dec 21, 2025Dec 21, 2025

    • my-codex-utils

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Nov 25, 2025Nov 25, 2025

    • molstar

      Public
      A comprehensive macromolecular library
      TypeScript
      •
      MIT License
      •0•0•0•1•Updated Nov 17, 2025Nov 17, 2025

    • pyunitwizard

      Public
      Assistant to work with physical quantities, units, and python libraries such as Pint, openmm.unit or unyt.
      pythonquantities
      Python
      •
      Other
      •3•3•5•0•Updated Nov 4, 2025Nov 4, 2025

    • flowcite

      Public
      Trace what you used, cite what matters.
      Python
      •
      Other
      •0•0•0•0•Updated Nov 3, 2025Nov 3, 2025

    • argdigest

      Public
      The lightweight, extensible toolkit to audit, coerce and validate function arguments across scientific libraries.
      Python
      •
      Other
      •0•0•0•0•Updated Nov 3, 2025Nov 3, 2025

    • pocketmt-tools

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Oct 21, 2025Oct 21, 2025

    • pharmacophoremt

      Public
      A Pharmacophore MultiToolkit designed to simplify and streamline the detection, generation, analysis, comparison, and application of pharmacophore models in drug-design strategies.
      Python
      •
      Other
      •0•0•0•0•Updated Oct 3, 2025Oct 3, 2025

    • new_web

      Public
      New web provisional
      Python
      •
      MIT License
      •0•0•0•0•Updated Oct 2, 2025Oct 2, 2025

    • nglview

      Public
      Jupyter widget to interactively view molecular structures and trajectories
      Jupyter Notebook
      •
      Other
      •141•0•0•0•Updated Oct 2, 2025Oct 2, 2025

    • elasnetmt

      Public
      Open source library to work with elastic network models
      pythonmolecular-modelingelastic-network-modelsmolsysmt
      Jupyter Notebook
      •
      Other
      •3•4•3•0•Updated Oct 2, 2025Oct 2, 2025

    • pocketsmt

      Public
      Jupyter Notebook
      •
      Other
      •3•2•2•0•Updated Aug 19, 2025Aug 19, 2025

    • AI-Research-Tools

      Public
      0•0•0•0•Updated Jul 24, 2025Jul 24, 2025

    • CMSN-playground

      Public
      Experimental repository for developing and testing methods for the analysis of Markov State Networks.
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated May 3, 2025May 3, 2025

    • cmsnkit

      Public
      A Python toolkit for building and analyzing Conformational Markov State Networks
      MIT License
      •0•0•0•0•Updated Apr 16, 2025Apr 16, 2025

    • action-build-and-upload-conda-packages

      Public
      GitHub Action: new conda packages are built and uploaded to Anaconda when a new released or pre-released version is declared.
      actionsgithub-actions
      MIT License
      •5•24•8•5•Updated Mar 11, 2025Mar 11, 2025

    • Ixtlilton-Tools

      Public
      Ixtlilton is the name of the UIBCDF's humble HPC cluster. This repository includes documentation and tools for users and administrators.
      Python
      •
      MIT License
      •0•0•12•0•Updated Mar 4, 2025Mar 4, 2025

    • lindelint

      Public
      Linear Delaunay Interpolator
      Jupyter Notebook
      •
      Other
      •1•1•0•0•Updated Feb 22, 2025Feb 22, 2025

    • uibcdf.github.io

      Public
      Web page of the Computational Biology and Drug Design Research Unit -UIBCDF-.
      HTML
      •0•0•2•0•Updated Feb 19, 2025Feb 19, 2025

    • Taller-Percolacion

      Public
      Python
      •0•0•0•0•Updated Feb 12, 2025Feb 12, 2025