Search Results: fastfold-api

Found 3 Skills

md_openmm_calvados

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.

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12 scripts/Attention

AI & Machine Learningfastfold-ai/skills

fold

Submits and manages FastFold protein folding jobs via the Jobs API. Covers authentication, creating jobs, polling for completion, and fetching CIF/PDB URLs, metrics, and viewer links. Use when folding protein sequences with FastFold, calling the FastFold API, or scripting fold-and-wait workflows.

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7 scripts/Checked

Tools & Utilitiesfastfold-ai/skills

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.

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1 scripts/Checked