Luthaf

EPFLLausanne, Switzerland

Pinned Repositories

chemfiles
Library for reading and writing chemistry files
Language:C++160 12 18248
chemiscope
An interactive structure/property explorer for materials and molecules
Language:TypeScript112 19 11727
metatensor
Self-describing sparse tensor data format for atomistic machine learning and beyond
Language:Python41 17 16713
lumol
Universal extensible molecular simulation engine
Language:Rust184 13 9418
soa-derive
Array of Struct to Struct of Array helpers in Rust
Language:Rust393 12 2728
confy
Compile time configuration files reading for Rust
Language:Rust10 3 01
Jumos.jl
Julia toolbox for molecular simulations
Language:Julia23 5 2111
rascaline
Computing representations for atomistic machine learning
Language:Rust43 7 6213

Luthaf's Repositories

Luthaf/rascaline
Computing representations for atomistic machine learning
Language:Rust43 7 6213
Luthaf/time-graph
Language:Rust10 3 1
Luthaf/mlip-2023-tutorial
Language:Jupyter Notebook8 2 02
Luthaf/wigners
Calculation of Wigner symbols and related constants
Language:Rust8 2 2
Luthaf/log-once
Helper macros for logging events only once.
Language:Rust5 2 04
Luthaf/alchemical-learning
Language:Python2 6 41
Luthaf/Ringberg-SummerSchool2022
Chemiscope tutorial for Schloss Ringberg summer school 2022
Language:Jupyter Notebook2 2 0
Luthaf/chemfiles
Modern library for chemistry file reading and writing
Language:C++1 3 0
Luthaf/chemiscope-materials-cloud
Language:HTML1 2 0
Luthaf/metatensor
Storage format for equivariant atomistic machine learning
Language:Python1 0 0
Luthaf/scikit-cosmo
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
Language:Python1 1 0
Luthaf/vesin
Language:C++1
Luthaf/3Dmol.js
WebGL accelerated JavaScript molecular graphics library
Language:Jupyter Notebook1 0
Luthaf/archived-rascaline-torch
Language:C++2
Luthaf/chemiscope
An interactive structure/property explorer for materials and molecules
Language:TypeScript2 0
Luthaf/guillaume.fraux.fr
My homepage
Language:HTML3 0
Luthaf/lammps
Public development project of the LAMMPS MD software package
Language:C++0 01
Luthaf/librascal
A scalable and versatile library to generate representations for atomic-scale learning
Language:C++2 0
Luthaf/llvm-profparser
Mostly complete pure rust implementation of parsing llvm instrumentation profile data
Language:Rust0 0
Luthaf/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Language:Python2 0
Luthaf/metatensor-lj-test
Shifted Lennard-Jones as a metatensor atomistic model, used to test the API integration
Language:Python
Luthaf/Metatensor_jll.jl
Language:Julia2 0
Luthaf/nightly-wheels
Build wheels nightly and allow to install them with pip
Language:Python1 02
Luthaf/pytorch
Tensors and Dynamic neural networks in Python with strong GPU acceleration
Language:Python0 0
Luthaf/pytorch-builder
Continuous builder and binary build scripts for pytorch
Language:Shell0 0
Luthaf/selw-2022
Equistore tutorial for the Swiss Equivariant Learning Workshop 2022
Language:Jupyter Notebook1 0
Luthaf/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Luthaf/tarpaulin
A code coverage tool for Rust projects
Language:Rust0 0
Luthaf/tox-variables
Language:Python
Luthaf/Yggdrasil
Collection of builder repositories for BinaryBuilder.jl
Language:Julia1 0