Rowan Autosearch
Description
Agent-driven molecular optimization over chemical space, using Rowan for property scoring and RDKit for constraint-aware candidate design.
Installation
This entry records only its repository, not the path inside it, so there is no
exact command to give. Open the source below and copy the folder into
~/.claude/skills/, or the file into ~/.claude/agents/.
README
Rowan Autosearch
[](https://x.com/k_dense_ai) [](https://www.linkedin.com/company/k-dense-inc) [](https://www.youtube.com/@K-Dense-Inc) [](https://www.reddit.com/user/-k-dense-/)
**Agent-driven molecular property optimization.** You define a chemistry objective and a starting molecule. An AI coding agent (Claude Code, Cursor, Codex, OpenCode, Gemini, etc.) plays the role of a medicinal chemist: proposing analogs, scoring them with [Rowan](https://www.rowansci.com/) quantum/ML workflows, checking drug-likeness with RDKit, and iterating until a winning candidate emerges.
`rowan-autosearch` is the **scoring harness and lab notebook** the agent uses to do this rigorously: every candidate, every Rowan payload, every constraint check, and every design rationale is captured as append-only JSON and rendered into an auditable HTML report.
Joint work between [K-Dense](https://www.k-dense.ai) and [Rowan Scientific](https://www.rowansci.com/).
Recommended driver models: **Claude Opus 4.8**, **GPT 5.5**, or **Gemini 3.1 Pro**. Any agent that can read `AGENTS.md` and call CLI tools will work.
**Stay up to date:** Follow K-Dense on [X](https://x.com/k_dense_ai), [LinkedIn](https://www.linkedin.com/company/k-dense-inc), and [YouTube](https://www.youtube.com/@K-Dense-Inc) for release announcements, molecular optimization walkthroughs, and new Rowan workflow examples you can run with your own AI agent.
🎬 **New to running K-Dense skills with your agent?** [Getting Started with Scientific Agent Skills](https://youtu.be/ZxbnDaD_FVg) covers the agent setup this harness assumes.
Who This Is For
- Computational chemists r
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