fastfold-ai
3 verified skills3 total stars
fold
Submits and manages FastFold protein folding jobs via the Jobs API (Boltz-2, OpenFold 3, Chai-1, IntelliFold, AlphaFold2, SimpleFold). Covers authentication, job payloads, modifications, constraints, webhooks, polling, and CIF/PDB URLs. Use when folding with FastFold, OpenFold 3/Chai-1/IntelliFold complexes, ligands/affinity, or scripting create → wait → results.
development1
slack_report
Share markdown reports to the user's configured Slack agent_cli_report channel via Fastfold API, and persist the markdown as a library item.
tools1
md-simulation
Run molecular dynamics (MD) simulations via the FastFold Workflows API. Today supports the CALVADOS+OpenMM workflow (calvados_openmm_v1) from either an existing fold job (AF structure + PAE auto-resolved) or manual PDB+PAE upload, then waits for completion, fetches metrics/plots/CSV artifacts, and extracts trajectory frames as PDB files. Use when running an MD simulation with FastFold, CALVADOS + OpenMM, reading MD metrics/plots, extracting frames, or scripting submit → wait → results for an MD run.
development1