Open-source AI agents for science.
ASA is dedicated to advancing scientific productivity through the innovative use of AI agents in an open and collaborative environment.
ASA Website · IQC Dashboard · AI Tools for Science ChemGraph ChemGraph Leaderboard
- Agentic computational chemistry: LLM agents that plan and run quantum chemistry and materials simulations, plus benchmarks to measure how well they do it.
- Reproducible science: agents that read papers, rebuild their computational environments, and regenerate their code.
- Tools and data for chemistry and ML: workflow frameworks, molecular identifiers, and dashboards for large simulation datasets.
- Training and outreach: guides and directories that help students and researchers use AI tools in their work.
Issues, pull requests and ideas are welcome in any repository. See the website for the full, always-current project list.
