FX Coudert

Code and data for the @MOF_papers twitter bot

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

GNU Fortran (and GCC) compilers for macOS

Collections of package recipes for Pyodide

A conda-smithy repository for cuequivariance-torch.

Read journal RSS feeds and tweet selected entries

Grace (xmgrace) plotting tool

Tools and scripts I wrote and regularly use

This repository contains some Python binders for teaching, by François-Xavier Coudert

Miscellaneous projects

Collection of builder repositories for BinaryBuilder.jl

No description provided.

No description provided.

Repository for building numpy release artifacts and making releases to PyPI

SYMMOL: a program to find the maximum symmetry group in an atom cluster

A conda-smithy repository for ctng-compiler-activation.

A conda-smithy repository for gfortran_impl_osx-64.

A pure python parser to sorption files from various instrumentation manufacturers.

BET Surface Identification - a program that fully implements the rouquerol criteria

A framework for processing adsorption data and isotherm fitting

A conda-smithy repository for pymace.

A conda-smithy repository for cuequivariance-jax.

A conda-smithy repository for cuequivariance.

Public development project of the LAMMPS MD software package

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

Python package for parallel calculation of energy voxels.

Mirror of http://zeoplusplus.org/

No description provided.

MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

Classical molecular simulation code