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João Rodrigues's Projects

ai-for-grant-writing icon ai-for-grant-writing

A curated list of resources for using LLMs to develop more competitive grant applications.

binding_affinity icon binding_affinity

Repository containing various scripts to predict the binding affinity of protein-protein complexes from structure

biopython icon biopython

Official git repository for Biopython (converted from CVS)

biopython-docs icon biopython-docs

Repository for automatically deploying the Biopython documentation

ce icon ce

Original Code for Combinatorial Extension (CE) Alignment

cookiecutter-cms icon cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

covid-19-data icon covid-19-data

Unpivoted and cleaned dataset from Johns Hopkins on COVID-19 outbreak

disvis icon disvis

Visualisation of conformational space restriction by distance restraints

dotfiles icon dotfiles

Keep dotfiles under (version-)control to make installation and undoing easier.

fcc icon fcc

Fraction of Common Contacts Clustering Algorithm for Protein Structures

freesasa icon freesasa

C-library for calculating Solvent Accessible Surface Areas

fretsampling icon fretsampling

CNS code to sample the position of FRET dyes attached to a protein

git-novice icon git-novice

Software Carpentry introduction to Git for novices.

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