Stars
Differentiable, Hardware Accelerated, Molecular Dynamics
Code for the ProteinMPNN paper
joaomcteixeira / wtfpython
Forked from satwikkansal/wtfpythonWhat the f*ck Python? 😱
A python program to score protein structures based on Crosslinks (MNXL), Monolinks (MoDS) and both (XLMO).
Python package for easy analysis of MD simulations based on MDAnalysis.
Compute various size metrics for a Git repository, flagging those that might cause problems
ripgrep recursively searches directories for a regex pattern while respecting your gitignore
Utilities based on Pythons iterators and generators.
DeepDiff: Deep Difference and search of any Python object/data. DeepHash: Hash of any object based on its contents. Delta: Use deltas to reconstruct objects by adding deltas together.
Versatile computational pipeline for processing protein structure data for deep learning applications.
CLI platform to experiment with codegen. Precursor to: https://lovable.dev
A modern, high customizable, responsive Jekyll theme for documentation with built-in search.
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
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
Foldseek enables fast and sensitive comparisons of large structure sets.
Generating and scoring novel enzyme sequences with a variety of models and metrics
A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic balls.
An extremely fast Python linter and code formatter, written in Rust.
Making Protein Design accessible to all via Google Colab!
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…
joaomcteixeira / pdb-tools
Forked from haddocking/pdb-toolsThis 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
joaomcteixeira / haddock3
Forked from haddocking/haddock3The official repo of the new modular BioExcel2 version of HADDOCK
joaomcteixeira / FarSeer-NMR
Forked from Farseer-NMR/FarSeer-NMRThis is a development repository for the Farseer-NMR Project. Visit the official repository at