Agent skill · mims-harvard
setup-boltz-remote-tool
Set up, launch, validate, and troubleshoot the Boltz-2 ToolUniverse remote tool and optionally relay it through ToolUniverse Connect. Use when deploying or auditing this implementation.
What it needs
About 4k tokens when loaded.
What this skill does
Set up Boltz-2 as a remote tool Validation status (2026-08-16): Boltz 2.2.1 and the official checkpoints ran on the NVIDIA GB10 in one repaired direct MCP call and three authenticated Platform calls, each returning six finite affinity values in 63.6-66.5 seconds. The upstream MSA service timed out during validation, so those successful calls explicitly used bounded single-sequence mode. Missing, oversized, malformed, or non-finite affinity artifacts now fail closed. Public publication, cross-user isolation, broad concurrency, recovery, biological accuracy, and the live MSA path remain unvalidated; keep this deployment private. Prerequisites Run from the ToolUniverse repository root on Linux with Python 3.12.3. CUDA GPU strongly recommended; CPU is not a practical production target. Keep provider data, weights, caches, and credentials outside Git. Bind to loopback. A non-loopback bind requires TOOLUNIVERSEAPITOKEN; never put it in arguments or results. Run the standard-library contract check before downloading large dependencies: ~~~bash python scripts/remotevalidation/setupskillpreflight.py --implementation boltz ~~~ After exporting provider resources, add --check-provider-env. After the server starts, add --live to verify the exact MCP tool set without running the model. Before sharing, add --check-connect-prereqs; this reports only whether a key is set and never prints its value. Create an isolated environment ~~~bash python3 -m venv .venvs/boltz . .venvs/boltz/bin/activate python -m pip install --upgrade pip python -m pip install -e . python -m pip install fastmcp boltz ~~~ Package/network-dependent commands must be rerun in a clean environment before marking this skill complete. Obtain credentials, data, and model weights Keep Boltz/model caches below caches/boltz. usemsaserver=true needs the upstream MSA service. Use false only when lower-quality single-sequence inference is acceptable. Review Boltz model/code and ligand-data licenses. …
How to use it
Reference it in AdaL, Claude Code, Cursor or any coding agent — nothing to install:
@skills mims-harvard/setup-boltz-remote-tool