joaomcteixeira

python-project-skeleton

An up-to-date and explanatory Python project skeleton with continuous integration services.

taurenmd

A command-line interface for analysis of Molecular Dynamics simulations.

pdb-tools

This is a development repository. Here you may find some scripts that are not yet part of the offical repository, use them if you will bu always cite the original repository. Please visit

haddock3

The official repo of the new modular BioExcel2 version of HADDOCK

joaomcteixeira.github.io

Professional webpage.

adventofcode

https://adventofcode.com/

BM5-clean

Docking benchmark 5 - cleaned and ready to use for HADDOCK

dssp

The DSSP building software

dummy

Dummy repository to test things around

dummyrepo

easylens

A straightforward command line to process microscope images.

fcc

Fraction of Common Contacts Clustering Algorithm for Protein Structures

haddocking.github.io

Webpage of the HADDOCK group

hpc-python

Python in High Performance Computing

IDPConformerGenerator

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

joss

The Journal of Open Source Software

libfuncpy

Tools for Functional Programming in Python.

LLPSWise

computational prediction of biological liquid-liquid phase separation systems

mda_cli

A MDAnalysis CLI interface

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

MDAnalysis.github.io

MDAnalysis home page mdanalysis.org as GitHub pages.

NiaPy

Python microframework for building nature-inspired algorithms. Official docs: http://niapy.readthedocs.io/en/stable/

passgen

Simple password generator made in Python

pdb2sql

Fast and versatile biomolecular structure PDB file parser using SQL queries

pdbprep

preprocess PDB files for deeprankcore

Pras_Server

Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by amide-amide interactions of the backbone

Pymol-script-repo

Collected scripts for Pymol

rapidfuzz

Rapid fuzzy string matching in Python and C++ using the Levenshtein Distance

SPyCi-PDB

Structural Python (Back) Calculator Interface for PDBs

wtfpython

What the f*ck Python? 😱