UniRL is a Framework for Unified Multimodal Model Reinforcement Learning

Supernova Analysis package

A Reusable Library for Second-Order Trust Region Orbital Optimization

Efficient And Fully Differentiable Extended Tight-Binding

Repo for settings, config, metrics for DESC's Extended LSST Astronomical Time Series Classification Challenge

Polymathic's Large Omnimodal Model for Astronomy

HIP: Hessians with Interatomic Potentials

Large-Scale Multimodal Dataset of Astronomical Data

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Zero-copy MPI communication of JAX arrays, for turbo-charged HPC applications in Python ⚡

JAXMg: A multi-GPU linear solver in JAX

A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)

Linear Scaling Electronic Structure

A parallel kernel-independent FMM library for particle and volume potentials

A kernel-independent fast multipole method library with Python interface.

WEST code

Electronic structure code based on gaussian basis sets. The code can perform apart from HF, DFT, RDMFT and some tastes of Optimized Effective Potential Theory.

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

Official repository of the Wannier90 code

A tensor contraction optimizer and code generator based on Drudge

A symbolic algebra system for tensorial and noncommutative algebras

Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s

Basis set optimization library for quantum chemistry

Python tools for quantum chemical calculations

CUDA Kernel Benchmarking Library

A microbenchmark support library

mimalloc is a compact general purpose allocator with excellent performance.