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João M.C. Teixeira's Projects

bm5-clean icon bm5-clean

Docking benchmark 5 - cleaned and ready to use for HADDOCK

cookiecutter-cms icon cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

deepmind-research icon deepmind-research

This repository contains implementations and illustrative code to accompany DeepMind publications

dssp icon dssp

The DSSP building software

dummy icon dummy

Dummy repository to test things around

easylens icon easylens

A straightforward command line to process microscope images.

farseer-nmr icon farseer-nmr

This is a development repository for the Farseer-NMR Project. Visit the official repository at

farseernmr2 icon farseernmr2

experimental repository testing ideas for farseernmr2

fcc icon fcc

Fraction of Common Contacts Clustering Algorithm for Protein Structures

flexgeo icon flexgeo

A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.

haddock3 icon haddock3

The official repo of the new modular BioExcel2 version of HADDOCK

hypersimpledocstring2md icon hypersimpledocstring2md

A Hyper Simple Docstring to Markdown. Creates indexed Markdown files from Python libraries docstrings.

idpconformergenerator icon idpconformergenerator

Build conformational representations of Intrinsically Disordered Proteins by a guided sampling of the protein torsion space. https://idpconformergenerator.readthedocs.io/

interfacea icon interfacea

Library to analyze energetics of protein/xNA complexes

isort icon isort

A Python utility / library to sort imports.

joss icon joss

The Journal of Open Source Software

libfuncpy icon libfuncpy

Tools for Functional Programming in Python.

llpswise icon llpswise

computational prediction of biological liquid-liquid phase separation systems

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

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