luthaf Goto Github PK

3dmol.js

WebGL accelerated JavaScript molecular graphics library

alchemical-learning

bcount

Borrow counted type for rust

caldyn

Dynamic evaluation of mathematical expressions

chemfiles

Modern library for chemistry file reading and writing

chemiscope

An interactive structure/property explorer for materials and molecules

chemiscope-materials-cloud

cifxx

Modern, header only, C++11 CIF files parser

citable-data

Data, in citable form, produced by the Coudert research group

confy

Compile time configuration files reading for Rust

dotfiles

extended-xyz

farthest-sampler

fortraquarium

Fortran 2003 implementation of the Javaquarium

guillaume.fraux.fr

My homepage

hello-zds

Exemple de code pour le tuto sur Homebrew

jumos.jl

Julia toolbox for molecular simulations

lammps

Public development project of the LAMMPS MD software package

librascal

A scalable and versatile library to generate representations for atomic-scale learning

llvm-profparser

Mostly complete pure rust implementation of parsing llvm instrumentation profile data

log-once

Helper macros for logging events only once.

lumol

Extensible molecular simulation engine

luthaf.github.io

Sources for my blog

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

metatensor

Storage format for equivariant atomistic machine learning

metatensor-lj-test

Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration

metatensor_jll.jl

mlip-2023-tutorial

mopac7

CMake based build for MOPAC

mudi

Multi-dimensional array storage for Rust