Name: Unit of Research on Computational Biology and Drug Design. Mexico Children's Hospital Federico Gómez.
Type: Organization
Bio: Unidad de Investigación en Biología Computacional y Diseño de Fármacos, Hospital Infantil de México Federico Gómez. Ciudad de México, México.
Location: Mexico Children's Hospital Federico Gómez
Blog: www.uibcdf.org
Unit of Research on Computational Biology and Drug Design. Mexico Children's Hospital Federico Gómez.'s Projects
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 caído aquí por otro motivo y este material te es útil, eres más que bienvenido a usarlo e interaccionar con nosotros.
GitHub Action: new conda packages are built and uploaded to Anaconda when a new released or pre-released version is declared.
GitHub Action: The gh-pages branch is updated with the content of an html directory to be deployed to GitHub Pages.
GitHub Action: The sphinx documentation in a repository is compiled and deployed to GitHub Pages through the gh-pages branch.
First steps of an open library to estimate binding free energies with the MM/GBSA approach and OpenMM.
BiFrEE Benchmarks
Clustering methods introduction and comparison
Coding rules and guidelines for the UIBCDF projects
conda build recipes to upload to Anaconda Cloud the python lab tools
Cookiecutter for any UIBCDF research project.
CosmicMuffin es una librería científica de test
CPPs Membrane Permeation
Fork from DeCAF by Marta Stepniewska-Dziubinska. https://bitbucket.org/marta-sd/decaf
Guidelines for developers of Python scientific libraries, GitHub Actions, and other open-source software at the UIBCDF.
First attempt Protein Protein binding energye
Tutorial, scripts and examples of Elastic Network Models using ProDy (csb.pitt, I. Bahar Lab)
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?
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.
Main site with the guidelines of the UIBCDF
Set of tools to evaluate the hardware performance. This kit can be used as hardware sanity.