Lists (13)
Stars
T0-GPU is a pure-Rust GPU programming framework targeting AMD RDNA3 (GFX1100) hardware. It bypasses HIP/ROCm userspace libraries entirely, communicating directly with the GPU through the Linux KFD …
Repository for PseudopotentialLibrary.org website and database
omo; the best agent harness - previously oh-my-opencode
Atomic Coordinate Toolkit for visualizing and editing atomic structures inside VS Code.
Repo for paper: stochastic tensor contraction for quantum chemistry
Self-describing sparse tensor data format for atomistic machine learning and beyond
libsixel / libsixel
Forked from saitoha/libsixelA C language SIXEL encoder/decoder implementation, forked from saitoha/libsixel after @saitoha vanished. Receives security patches, accepts PR's filed preferably here but also at saitoha/libsixel.
Spin-adapted TD-DFT for open-shell systems
📄 Production-ready MCP server for PDF processing - 5-10x faster with parallel processing and 94%+ test coverage
A next.js web application that integrates AI capabilities with draw.io diagrams. This app allows you to create, modify, and enhance diagrams through natural language commands and AI-assisted visual…
A curated list of replacements for existing software written in Rust
Regularized variants of MP2 for use in PySCF
Machine learning many-body Green's function and self-energy
Tools used to generate the SciPy conference proceedings
A Reusable Library for Second-Order Trust Region Orbital Optimization
The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.
ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit solution, crystal or protein environment.