Repositories list

• molsysmt

  Public
  Open source library to work with molecular systems

  pythonmolecular-dynamicsmolecular-simulation+ 4molecular-dynamics-simulationmolecular-modelingmolecular-dynamics-trajectoriesmolsysmt

  Python

  •

  Other

  •3•12•20•0•Updated Mar 8, 2025Mar 8, 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

• enmt

  Public
  Open source library to work with elastic network models

  pythonmolecular-modelingelastic-network-models+ 1molsysmt

  Jupyter Notebook

  •

  Other

  •3•4•3•0•Updated Feb 24, 2025Feb 24, 2025

• lindelint

  Public
  Linear Delaunay Interpolator

  Jupyter Notebook

  •

  Other

  •1•1•0•0•Updated Feb 22, 2025Feb 22, 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•4•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

• 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

  •4•20•6•5•Updated Feb 18, 2025Feb 18, 2025

• Taller-Percolacion

  Public
  Python

  •0•0•0•0•Updated Feb 12, 2025Feb 12, 2025

• ITT-IIMAS-2025

  Public
  0•0•0•0•Updated Jan 24, 2025Jan 24, 2025

• ACCPPs

  Public
  Librería para el Tanque de Datos 2025 IIMAS: "Predicción de péptidos anticancerígenos penetradores de membrana"

  Python

  •

  MIT License

  •2•2•0•0•Updated Jan 23, 2025Jan 23, 2025

• YAPP

  Public
  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Jan 21, 2025Jan 21, 2025

• OPocket

  Public
  Jupyter Notebook

  •

  Other

  •3•2•2•0•Updated Jan 12, 2025Jan 12, 2025

• OMembrane

  Public
  Open source library to work with membranes

  pythonmolecular-dynamicsmolecular-simulation+ 3molecular-dynamics-simulationmolecular-modelingmolsysmt

  Rich Text Format

  •

  Other

  •2•1•0•0•Updated Jan 12, 2025Jan 12, 2025

• bcifreader

  Public
  A lightweight library for reading BinaryCIF files

  Python

  •

  Apache License 2.0

  •0•0•0•0•Updated Dec 23, 2024Dec 23, 2024

• Peptides_Landscape

  Public
  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Dec 17, 2024Dec 17, 2024

• Landscapep

  Public
  Python

  •

  MIT License

  •0•0•0•0•Updated Nov 25, 2024Nov 25, 2024

• BiFrEE-Tools

  Public
  BiFrEE Benchmarks

  tests

  Jupyter Notebook

  •

  MIT License

  •2•0•1•0•Updated Apr 29, 2024Apr 29, 2024

• Study_Group_Allostery

  Public
  Allostery Study Group

  0•0•0•0•Updated Jan 29, 2024Jan 29, 2024

• action-sphinx-docs-to-gh-pages

  Public
  GitHub Action: The sphinx documentation in a repository is compiled and deployed to GitHub Pages through the gh-pages branch.

  actionsgithub-actions

  MIT License

  •7•16•1•0•Updated Jan 23, 2024Jan 23, 2024

• uOR

  Public
  Mu Opioid Receptor

  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Jan 16, 2024Jan 16, 2024

• OpenMM-Cookbook

  Public
  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Oct 31, 2023Oct 31, 2023

• CosmicMuffin

  Public
  CosmicMuffin es una librería científica de test

  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Oct 12, 2023Oct 12, 2023

• OBinding

  Public
  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Sep 7, 2023Sep 7, 2023

• IPyMolSysView

  Public
  TypeScript

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Aug 30, 2023Aug 30, 2023

• BiFrEE

  Public
  First steps of an open library to estimate binding free energies with the MM/GBSA approach and OpenMM.

  Python

  •

  MIT License

  •2•4•3•0•Updated Jul 23, 2023Jul 23, 2023

• Talks-MolSysMT

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Jul 7, 2023Jul 7, 2023

• OpenPharmacophore

  Public
  An open library to work with pharmacophores.

  Python

  •

  MIT License

  •11•45•10•0•Updated Jul 6, 2023Jul 6, 2023

• Test-sphinx-ghpages

  Public
  Repository to test the sphinx to ghpages action

  Python

  •0•0•0•0•Updated Jul 1, 2023Jul 1, 2023

• Taller-Python

  Public
  Taller de introducción a la programación en Python

  workshoptaller

  Jupyter Notebook

  •

  Other

  •12•3•13•1•Updated Jun 20, 2023Jun 20, 2023

• Taller-Linux

  Public
  Introducción al uso y administración del sistemas operativos tipo Linux para el laboratorio de investigación científica.

  workshoptaller

  Python

  •

  Other

  •10•1•13•0•Updated Jun 20, 2023Jun 20, 2023