A curated list of awesome AI tools, libraries, papers, datasets, and frameworks that accelerate scientific discovery — from physics and chemistry to biology, materials, and beyond.
GitHub repository with 1,623 stars and 179 forks.
Topics: ai-for-science, ai4s, ai4science, awesome, awesome-list, bioinformatics, scientific-ai
2026-06-05: 1,623 stars and 179 forks.
AutoScientists: Self-Organizing Agent Teams for Long-Running Scientific Experimentation
GitHub repository with 539 stars and 83 forks.
Trending score: 1.45; stars gained: +34; forks gained: +3.
Language: Python
Topics: agents, ai-for-science, ai-for-scientific-discovery, ai-scientists, automated-science, long-running-agents
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 110 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
Democratizing AI scientists with ToolUniverse
GitHub repository with 1,425 stars and 219 forks.
Trending score: 0.97; stars gained: +9; forks gained: +0.
Language: Python
Topics: agents, ai-agents, ai-communication, ai-for-science, ai-scientists, automated-science
A curated list of 100+ AI-ready tools for Computer-Aided Engineering, ranked by an AI-Readiness Score (agent-callability: MCP, Python API, CLI, pip). CFD, FEA, SPH, DEM, differentiable simulation, neural operators, PINNs, MCP servers.
GitHub repository with 33 stars and 6 forks.
Trending score: 0.49; stars gained: +2; forks gained: +0.
Language: Python
Topics: ai, awesome, awesome-list, cae, cfd, fea
AgentSociety 2 is a modern, LLM-native agent simulation platform designed for social science research and experimental design. It provides a flexible framework for creating and managing intelligent agents in simulated environments.
GitHub repository with 1,012 stars and 177 forks.
Trending score: 0.48; stars gained: +2; forks gained: +0.
Language: Python
Topics: agent, agent-based-modeling, agentsociety2, ai-assistants, ai-for-science, ai-social-scientist
OpenAaaS: science agent network — bring AI to your data, not your data to AI. AaaS, Agent as a Service, MCP protocol, local execution, Docker sandbox, zero-config Rust nodes.
GitHub repository with 19 stars and 5 forks.
Trending score: 0.05; stars gained: +0; forks gained: +0.
Language: Rust
Topics: docker, mcp, aaas, agent-as-a-service, ai-agents, ai-for-science
AutoScientists: Self-Organizing Agent Teams for Long-Running Scientific Experimentation
GitHub repository with 539 stars and 83 forks.
Trending score: 1.45; stars gained: +34; forks gained: +3.
Language: Python
Topics: agents, ai-for-science, ai-for-scientific-discovery, ai-scientists, automated-science, long-running-agents
Molecode presents molecules as code and enables LLMs to operate and reason on chemistry directly.
GitHub repository with 110 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
Democratizing AI scientists with ToolUniverse
GitHub repository with 1,425 stars and 219 forks.
Trending score: 0.97; stars gained: +9; forks gained: +0.
Language: Python
Topics: agents, ai-agents, ai-communication, ai-for-science, ai-scientists, automated-science
A curated list of 100+ AI-ready tools for Computer-Aided Engineering, ranked by an AI-Readiness Score (agent-callability: MCP, Python API, CLI, pip). CFD, FEA, SPH, DEM, differentiable simulation, neural operators, PINNs, MCP servers.
GitHub repository with 33 stars and 6 forks.
Trending score: 0.49; stars gained: +2; forks gained: +0.
Language: Python
Topics: ai, awesome, awesome-list, cae, cfd, fea
AgentSociety 2 is a modern, LLM-native agent simulation platform designed for social science research and experimental design. It provides a flexible framework for creating and managing intelligent agents in simulated environments.
GitHub repository with 1,012 stars and 177 forks.
Trending score: 0.48; stars gained: +2; forks gained: +0.
Language: Python
Topics: agent, agent-based-modeling, agentsociety2, ai-assistants, ai-for-science, ai-social-scientist
OpenAaaS: science agent network — bring AI to your data, not your data to AI. AaaS, Agent as a Service, MCP protocol, local execution, Docker sandbox, zero-config Rust nodes.
GitHub repository with 19 stars and 5 forks.
Trending score: 0.05; stars gained: +0; forks gained: +0.
Language: Rust
Topics: docker, mcp, aaas, agent-as-a-service, ai-agents, ai-for-science