openmolclaw

How to embed Ketcher in a local Flask + JavaScript page and bridge it to RDKit: read/write Molblock, convert pasted SMILES to Molblock server-side, and render validated structures into the local workspace. Use when building or extending the local structure-editor harness.

Configure OpenMolClaw's model provider: a local chat-completions endpoint, OpenRouter ZDR, or another explicit endpoint behind one ModelProvider interface. Use when wiring, swapping, or debugging the model the router and executor call.

Conventions for drawing accurate 2D skeletal chemical structures in SVG. Covers zigzag backbones, wedge/dashed-wedge bonds, heteroatom labels, stereochemistry notation, and common pitfalls.

Programmatically build, modify, and manipulate chemical structures using RDKit without requiring LLM API calls. Use when you need to: (1) Retrieve common chemical scaffolds (benzene, pyridine, amino acids, etc.), (2) Build molecules from building blocks (chains, rings, functional groups), (3) Manipulate fragments (replace substructures, find disconnections, extract MCS), (4) Validate or canonicalize SMILES strings, (5) Generate molecular series or variants (homologous series, isomers, functional group scans), or (6) Perform any routine structure manipulation for local chat or workspace workflows.

The router-first agent pattern: user request → router → forced tool choice → executor → tool result, with JSON-schema validation, an execution trace, and deterministic fallback errors. Use when building or reasoning about the local agent harness loop so model text is never executed directly.

The local workspace JSON format and semantic-alias system ([m1], [r1], [label1]): how molecules, reactions, labels, and rendered assets are stored, referenced, and round-tripped to a single local JSON file with no database. Use when building or reasoning about local workspace state and object references.