Starred repositories
Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
The agent that grows with you
Your own personal AI assistant. Any OS. Any Platform. The lobster way. 🦞
Run agents like Hermes, LangChain Deep Agents, and OpenClaw more securely inside NVIDIA OpenShell with managed inference
Get up and running with Kimi-K2.6, GLM-5.2, MiniMax, DeepSeek, gpt-oss, Qwen, Gemma and other models.
🩵 A free, open-source app store for developers' releases on GitHub, Codeberg & Forgejo — browse, discover, and install apps with one click. Formerly GitHub Store.
A C++23 quantum chemistry package implementing RHF/UHF SCF, MP2, CASSCF/SA-CASSCF/RASSCF, and Kohn-Sham DFT (LDA/GGA), with analytic gradients, geometry optimization, and vibrational frequency anal…
Local-first high-quality offline RVC voice conversion workstation
Easier to use and parallelised version
Nciplot4.4 2025 release including NCIENERGY and NCICLUSTER
NCIPLOT-4.3: reads cube files and clusters interaction types
Implement a ChatGPT-like LLM in PyTorch from scratch, step by step
Agent skills to run computational-chemistry tasks, used in OpenClaw
MatClaw: an open materials-science agent that turns natural-language tasks into reproducible simulation workflows.
Fully autonomous & self-evolving research from idea to paper. Chat an Idea. Get a Paper. 🦞
CatGo Plugin Hub catalog — community plugins for analyzers, calculators, readers, and workflow nodes
AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission. Tauri desktop app with …
An evaluation framework for machine learning models simulating high-throughput materials discovery.
A toolkit for visualizations in materials informatics.
Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.