berquist/pymolresponse
Molecular frequency-dependent response properties for arbitrary operators
GitHub repository with 12 stars and 3 forks.
Language: Python
Topics: computational-chemistry, python, python-chemistry, quantum-chemistry
Molecular frequency-dependent response properties for arbitrary operators
GitHub repository with 12 stars and 3 forks.
Language: Python
Topics: computational-chemistry, python, python-chemistry, quantum-chemistry
2026-06-05: 12 stars and 3 forks.
A distributed compute and database platform for quantum chemistry.
GitHub repository with 161 stars and 55 forks.
Trending score: 0.26; stars gained: +0; forks gained: +0.
Language: Python
Topics: quantum-chemistry, distributed-computing, python, database-platform, computational-chemistry
Parsers and algorithms for computational chemistry logfiles
GitHub repository with 408 stars and 179 forks.
Trending score: 0.05; stars gained: +0; forks gained: +0.
Language: Python
Topics: python, computational-chemistry, quantum-chemistry, hacktoberfest
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
GitHub repository with 163 stars and 54 forks.
Trending score: 0.00.
Language: Python
Topics: quantum-chemistry, quantum-chemistry-programs, quantum-chemistry-packages, computational-chemistry, computational-biology, computational-physics
The agent that grows with you
GitHub repository with 181,562 stars and 31,151 forks.
Trending score: 5.95; stars gained: +1,867; forks gained: +361.
Language: Python
Topics: ai, ai-agent, ai-agents, anthropic, chatgpt, claude
Compress tool outputs, logs, files, and RAG chunks before they reach the LLM. 60-95% fewer tokens, same answers. Library, proxy, MCP server.
GitHub repository with 13,361 stars and 853 forks.
Trending score: 5.69; stars gained: +2,829; forks gained: +175.
Language: Python
Topics: agent, ai, anthropic, compression, context-engineering, context-window
Academic Research Skills for Claude Code: research → write → review → revise → finalize
GitHub repository with 27,422 stars and 2,253 forks.
Trending score: 5.52; stars gained: +1,079; forks gained: +89.
Language: Python
Topics: academic-pipeline, academic-writing, ai-research, claude, claude-code, literature-review
GitHub repository with 30,002 stars and 4,224 forks.
Trending score: 4.88; stars gained: +688; forks gained: +114.
Language: Python
Turn any technical book PDF into a Claude Code skill — ready to study, reference, and use while you work.
GitHub repository with 4,250 stars and 534 forks.
Trending score: 4.88; stars gained: +476; forks gained: +68.
Language: Python
An opinionated list of Python frameworks, libraries, tools, and resources
GitHub repository with 301,341 stars and 28,044 forks.
Trending score: 4.60; stars gained: +518; forks gained: +24.
Language: Python
Topics: awesome, python, collections, python-frameworks, python-libraries, python-tools
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 SvelteKit frontend and FastAPI Python backend. Drives VASP, ORCA, CP2K, QE, GPAW, DFTB+, SIESTA, LAMMPS.
GitHub repository with 96 stars and 10 forks.
Trending score: 0.51; stars gained: +2; forks gained: +0.
Language: TypeScript
Topics: ase, catalysis, computational-chemistry, cp2k, dft, hpc
A distributed compute and database platform for quantum chemistry.
GitHub repository with 161 stars and 55 forks.
Trending score: 0.26; stars gained: +0; forks gained: +0.
Language: Python
Topics: quantum-chemistry, distributed-computing, python, database-platform, computational-chemistry
Parsers and algorithms for computational chemistry logfiles
GitHub repository with 408 stars and 179 forks.
Trending score: 0.05; stars gained: +0; forks gained: +0.
Language: Python
Topics: python, computational-chemistry, quantum-chemistry, hacktoberfest
Library first implementation of the D3 dispersion correction
GitHub repository with 83 stars and 36 forks.
Trending score: 0.05.
Language: Fortran
Topics: quantum-chemistry, dispersion-correction, ase, computational-chemistry, pyscf, qcschema
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
GitHub repository with 163 stars and 54 forks.
Trending score: 0.00.
Language: Python
Topics: quantum-chemistry, quantum-chemistry-programs, quantum-chemistry-packages, computational-chemistry, computational-biology, computational-physics