quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
GitHub repository with 264 stars and 72 forks.
Language: Python
Topics: chemistry, computational-materials-science, database, dft, high-throughput, hpc, python, quantum-chemistry, quantum-mechanics, workflow
Trending score 0.04, activity score 0.04, stars gained +0, forks gained +0.
2026-06-05: 264 stars and 72 forks.
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 109 stars and 3 forks.
Trending score: 1.31; stars gained: +21; forks gained: +0.
Language: Python
Topics: ai-agent, ai-for-science, chemistry, coding-agent, language-model, large-language-models
Python version of the amazing Reaction Mechanism Generator (RMG).
GitHub repository with 523 stars and 256 forks.
Trending score: 0.59; stars gained: +2; forks gained: +0.
Language: Python
Topics: chemistry, chemistry-discovery, kinetics, python, reactions, thermodynamics
Package containing several workflows to compute molecular properties for nanomaterials
GitHub repository with 12 stars and 11 forks.
Trending score: 0.18; stars gained: +0; forks gained: +0.
Language: Python
Topics: science, chemistry, physics, materials, quantum-chemistry, scientific-workflows
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
GitHub repository with 264 stars and 72 forks.
Trending score: 0.04; stars gained: +0; forks gained: +0.
Language: Python
Topics: chemistry, computational-materials-science, database, dft, high-throughput, hpc
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 5 stars and 0 forks.
Trending score: 0.05.
Language: Python
Topics: ai-agent, ai-for-science, chemistry, coding-agent, language-model, large-language-models
The agent that grows with you
GitHub repository with 182,513 stars and 31,295 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 14,053 stars and 885 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 27,616 stars and 2,272 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
Learn it. Build it. Ship it for others.
GitHub repository with 28,711 stars and 4,695 forks.
Trending score: 5.32; stars gained: +1,261; forks gained: +238.
Language: Python
Topics: agents, ai, ai-agents, ai-engineering, computer-vision, course
An opinionated list of Python frameworks, libraries, tools, and resources
GitHub repository with 301,435 stars and 28,046 forks.
Trending score: 4.60; stars gained: +518; forks gained: +24.
Language: Python
Topics: awesome, collections, python, python-frameworks, python-libraries, python-tools
Use claude-code for free in the terminal, VSCode extension or discord like OpenClaw (voice supported)
GitHub repository with 32,540 stars and 4,942 forks.
Trending score: 4.56; stars gained: +467; forks gained: +82.
Language: Python
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 109 stars and 3 forks.
Trending score: 1.31; stars gained: +21; forks gained: +0.
Language: Python
Topics: ai-agent, ai-for-science, chemistry, coding-agent, language-model, large-language-models
Web-based molecule sketcher
GitHub repository with 805 stars and 241 forks.
Trending score: 1.00; stars gained: +4; forks gained: +1.
Language: TypeScript
Topics: cdx, cdxml, cheminformatics, chemistry, cml, lifescience
Python version of the amazing Reaction Mechanism Generator (RMG).
GitHub repository with 523 stars and 256 forks.
Trending score: 0.59; stars gained: +2; forks gained: +0.
Language: Python
Topics: chemistry, chemistry-discovery, kinetics, python, reactions, thermodynamics
Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.
GitHub repository with 340 stars and 34 forks.
Trending score: 0.42; stars gained: +1; forks gained: +0.
Language: TypeScript
Topics: chemistry, d3, data-viz, materials-science, plotting, svelte
Package containing several workflows to compute molecular properties for nanomaterials
GitHub repository with 12 stars and 11 forks.
Trending score: 0.18; stars gained: +0; forks gained: +0.
Language: Python
Topics: science, chemistry, physics, materials, quantum-chemistry, scientific-workflows
Diagrams of concepts in physics/chemistry/ML
GitHub repository with 623 stars and 75 forks.
Trending score: 0.12; stars gained: +0; forks gained: +0.
Language: Typst
Topics: tikz, latex, scientific-visualization, tikz-gallery, physics, machine-learning