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academia

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.

action-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.

action-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.

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.

adaptive_sampling

analysis_yank

benchmarks

bifree

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

bifree-tools

BiFrEE Benchmarks

clustering

Clustering methods introduction and comparison

coding_rules_and_guidelines

Coding rules and guidelines for the UIBCDF projects

conda-recipes

conda build recipes to upload to Anaconda Cloud the python lab tools

cookiecutter-project

Cookiecutter for any UIBCDF research project.

cosmicmuffin

CosmicMuffin es una librería científica de test

cpp_permeability

CPPs Membrane Permeation

databases_and_tensors

decaf

Fork from DeCAF by Marta Stepniewska-Dziubinska. https://bitbucket.org/marta-sd/decaf

developer-guidelines

Guidelines for developers of Python scientific libraries, GitHub Actions, and other open-source software at the UIBCDF.

dnmt

ebna1

First attempt Protein Protein binding energye

enm

Tutorial, scripts and examples of Elastic Network Models using ProDy (csb.pitt, I. Bahar Lab)

evidence

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?

example_analysis

g6pdh

glycolysis

gpcraptor

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.

guidelines

Main site with the guidelines of the UIBCDF

hardware-evaluation-benchmark-tools

Set of tools to evaluate the hardware performance. This kit can be used as hardware sanity.

hif1

how-much-energy-is

How much energy is 1 kcal/mol? and 4.184 kj/mol?