datalab-org/datalab
datalab is a place to store experimental data and the connections between them.
GitHub repository with 88 stars and 23 forks.
Language: Python
Topics: chemistry, data-management, experimental-data, materials-science, datalab
datalab is a place to store experimental data and the connections between them.
GitHub repository with 88 stars and 23 forks.
Language: Python
Topics: chemistry, data-management, experimental-data, materials-science, datalab
2026-06-05: 88 stars and 23 forks.
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 93 stars and 2 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: reactions, python, thermodynamics, chemistry, chemistry-discovery, kinetics
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
Machine learning workflows for the OpenADMET project
GitHub repository with 52 stars and 10 forks.
Trending score: 0.05; stars gained: +0; forks gained: +0.
Language: Python
Topics: chemistry, machine-learning
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
GitHub repository with 174 stars and 33 forks.
Trending score: 0.05; stars gained: +0; forks gained: +0.
Language: Python
Topics: spectroscopy, chemistry, data-analysis, processing, datasets, python
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 181,454 stars and 31,141 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 12,942 stars and 833 forks.
Trending score: 5.69; stars gained: +2,829; forks gained: +175.
Language: Python
Topics: agent, ai, anthropic, claude-code, compression, context-engineering
Academic Research Skills for Claude Code: research → write → review → revise → finalize
GitHub repository with 27,379 stars and 2,251 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 4,221 stars and 528 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
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 93 stars and 2 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: reactions, python, thermodynamics, chemistry, chemistry-discovery, kinetics
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, plotting, svelte, materials-science
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