MoleCode
github.com/atomflow-ai/molecodeLLM-native molecular language that represents molecules as explicit graph-based code, enabling LLMs to operate and reason on chemistry directly with 5× lower token cost and ~76-80% accuracy on novel molecules vs ~20% for SMILES; supports small molecules, polymers, and Markush structures with lossless RDKit interconversion and Claude Code/Codex agent skills (AtomFlow, arXiv:2605.16480, 281+ stars, MIT License, 2026)
Sourced from
- Awesome AI for Science — github.com/atomflow-ai/molecode
- GitHub — github.com/atomflow-ai/molecode
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