Carlos Outeiral's repositories
structure-vs-folding
Code for article "Current structure predictors are not learning the physics of protein folding" by Outeiral et al. (Bioinformatics, 2022)
blender-mol
A simple Python script to draw molecules in Blender.
atom
:atom: The hackable text editor
bitsandbytes
8-bit CUDA functions for PyTorch
couteiral.github.io
Personal website
dms_tools2
software for the analysis and visualization of deep mutational scanning data
NumericalMethods
Didactic Python implementations of simple numerical methods
ORGANIC-1
Code repo for optimizing distributions of molecules.
oxrse_unit_conv
Python unit conversion library for teaching collaborative GitHub techniques.
personal-blog
Personal blog
plumed2
Development version of plumed 2
Pong
Simple C++ implementation of the classic Pong game
proteinham
Python library for handling protein lattice hamiltonians
pyswarm
Particle swarm optimization (PSO) that supports constraints
quantum-optimisation-tutorial
A lightning-fast tutorial on quantum optimisation, including some quotidian life examples (yes, really)
quantum-protein-lattice-folding
Code for article "Investigating the potential for a limited quantum speedup on protein lattice problems" by Outeiral et al. (New Journal of Physics, 2021)
rhorix
Python 3.3 Blender Add-On for Importing QCT Data
RNA-Analysis
Code for "Deconvolution of Conformational Exchange from Raman Spectra of Aqueous RNA Nucleosides"
sympy
A computer algebra system written in pure Python