couteiral Goto Github PK

atom

:atom: The hackable text editor

battlesheep

bitsandbytes

8-bit CUDA functions for PyTorch

blender-mol

A simple Python script to draw molecules in Blender.

ci-test

couteiral.github.io

Personal website

dms_tools2

software for the analysis and visualization of deep mutational scanning data

girolami

A simple Python script for predicting liquid densities using Girolami's method.

imaginarytimeevolution

numericalmethods

Didactic Python implementations of simple numerical methods

organic

Objective-Reinforced Generative Adversarial Networks for Inverse-design Chemistry

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

publication-graph

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"

structure-vs-folding

Code for article "Current structure predictors are not learning the physics of protein folding" by Outeiral et al. (Bioinformatics, 2022)

sympy

A computer algebra system written in pure Python