10 projects
ace-jax
Fit and evaluate ACE interatomic potentials in Python/JAX
ase-extxyz
ASE I/O plugin backed by the libextxyz C parser
extxyz
Extended XYZ file format tools
ace-jax-coupling
EquivariantTensors.jl SO(3) coupling tables for ace-jax, as a juliac-compiled library (no Julia needed)
matscipy
Generic Python Materials Science tools
mograder
Semi-automated grading for Marimo notebooks
quippy-ase
ASE-compatible Python bindings for the QUIP and GAP codes
marimo-precompute
Precompute and cache expensive notebook computations for static WASM deployment
ase-uhal
Implementation of 'Universal HyperActive Learning' compatible with the Atomic Simulation Environment (ASE)
f90wrap
Fortran to Python interface generator with derived type support
