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OpenPharmacophore
An open library to work with pharmacophores.action-sphinx-docs-to-gh-pages
GitHub Action: The sphinx documentation in a repository is compiled and deployed to GitHub Pages through the gh-pages branch.MolSysMT
Open source library to work with molecular systemsaction-build-and-upload-conda-packages
GitHub Action: new conda packages are built and uploaded to Anaconda when a new released or pre-released version is declared.PyPharmer
Python API for PharmerAcademia
Este repositorio debe ser el punto de partida y encuentro para cualquier investigador o estudiante que quiera comenzar a trabajar con/en la UIBCDF. Si has ca铆do aqu铆 por otro motivo y este material te es 煤til, eres m谩s que bienvenido a usarlo e interaccionar con nosotros.Study_Group_Pharmacophores
Pharmacophores Study Groupaction-html-dir-to-gh-pages
GitHub Action: The gh-pages branch is updated with the content of an html directory to be deployed to GitHub Pages.BiFrEE
First steps of an open library to estimate binding free energies with the MM/GBSA approach and OpenMM.OpenENM
Open source library to work with elastic network modelsOpenPocket
Sabueso
PyUnitWizard
Assistant to work with physical quantities, units, and python libraries such as Pint, openmm.unit or unyt.OpenPocket_old
Open Source Library to detect pockets and cavities of proteinsTaller-Python
Taller de introducci贸n a la programaci贸n en PythonOpenPharmacophore-Tools
OpenPharmacophore BenchmarksPynterpred_old
Python Interface PredictionTaller-Linux
Introducci贸n al uso y administraci贸n del sistemas operativos tipo Linux para el laboratorio de investigaci贸n cient铆fica.REMD_testbed
Replica Exchange TestbedOpenMM-Reporters
OpenMM reporters implemented by the UIBCDFStudy_Group_MMGBSA
MMGBSA Study GroupOpenInterface
Caracterizaci贸n de interfaces...LinDelInt
Linear Delaunay InterpolatorClustering
Clustering methods introduction and comparisonUIBCDF-Standard-Library
Methods with algorithms, tools and shortcuts usually used in the UIBCDF librariesOpenCTN-Tools
OpenCTN ToolsKinNetMT
Kinetic transitions networks or Conformational Markov Networks.DeCAF
Fork from DeCAF by Marta Stepniewska-Dziubinska. https://bitbucket.org/marta-sd/decafGPCRaptor
Tentative seed of an open library to centralize the analysis observables and tools to characterize the structure and dynamics of GPCR proteins. Valid for all-atom and coarse-grained molecular models.Study_Group_ENM
Elastic Network Models Study GroupSabueso_old
EBNA1
First attempt Protein Protein binding energyeDeveloper-Guidelines
Guidelines for developers of Python scientific libraries, GitHub Actions, and other open-source software at the UIBCDF.OMembrane
Open source library to work with membranesMolecular-Systems
UIBCDF test systemsEvidence
Scientific Python libraries or scripts often work with data coming from a database, a scientific communication, or any other external source. These data, or "evidences", are then supported by external references. Wouldn't be useful to work with "evidences" in your code?Love Open Source and this site? Check out how you can help us