Requirements
- Target platform
- OpenClaw
- Install method
- Manual import
- Extraction
- Extract archive
- Prerequisites
- OpenClaw
- Primary doc
- SKILL.md
Fold and score biomolecular complexes and optionally profile ADMET to prioritize molecules in drug discovery pipelines via the refua-mcp server.
Fold and score biomolecular complexes and optionally profile ADMET to prioritize molecules in drug discovery pipelines via the refua-mcp server.
Hand the extracted package to your coding agent with a concrete install brief instead of figuring it out manually.
I downloaded a skill package from Yavira. Read SKILL.md from the extracted folder and install it by following the included instructions. Tell me what you changed and call out any manual steps you could not complete.
I downloaded an updated skill package from Yavira. Read SKILL.md from the extracted folder, compare it with my current installation, and upgrade it while preserving any custom configuration unless the package docs explicitly say otherwise. Summarize what changed and any follow-up checks I should run.
Refua is used in drug discovery to computationally fold and score biomolecular complexes (e.g., protein–ligand/protein–protein) and optionally profile ADMET, helping prioritize which molecules to synthesize and test first in a drug discovery pipeline. This skill runs and connects to the refua-mcp MCP server, which exposes Refua’s “unified Complex API” as MCP tools for: Boltz2 complex folding (+ optional affinity evaluation) BoltzGen design workflows Optional ADMET profiling (when installed) Clawdbot supports MCP natively, so the only requirement is running this MCP server and calling its tools. (github.com)
Use this skill when you need to: Fold a protein–ligand, protein–protein, or (fold-only) DNA/RNA complex Estimate binding affinity for a specified binder within a complex spec Run ADMET predictions for one or more SMILES ligands (if enabled) Execute GPU/CPU-heavy Refua workflows via MCP tool calls Do NOT use this skill when: The task is a simple deterministic calculation (prefer a non-ML tool) The user expects you to invent sequences/SMILES (request inputs instead) The user requests unsafe wet-lab or clinical guidance
Install Refua (CPU or CUDA), then install the MCP server package: (github.com) GPU support: pip install refua[cuda] CPU-only: pip install refua MCP server: pip install refua-mcp
ADMET tool support is optional and requires an extra: (github.com) pip install refua[admet]
Boltz2 and BoltzGen require model/molecule assets. Refua can download them automatically: (github.com) python -c "from refua import download_assets; download_assets()" Default asset locations + overrides: (github.com) Boltz2 uses ~/.boltz by default Override via tool option boltz.cache_dir if needed BoltzGen uses a bundled HF artifact by default Override via tool option boltzgen.mol_dir if needed
Start the server using the module entrypoint: (github.com) python3 -m refua_mcp.server
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