Utility

Workflow recap

• In guided mode, choose an input source only if your script reads files under /inputs; uploaded, dataset, or previous-job data is mounted as the whole /inputs folder.
• Choose the Python script separately. Guided mode mounts the script under /aux and runs it as the entrypoint.
• Pass any specific input file paths your script needs as arguments, for example /inputs/topology.pdb and /inputs/samples.xtc.
• The runner executes python3 -u <entrypoint> <args...>, where <entrypoint> is the first argument (advanced default /aux/main.py).
• Write all results to /outputs so they sync back for download.

Bundled tools

Available in the image:

Python libs: biopython, pyfaidx, tqdm, gemmi, pdb-tools, shape-complementarity.

Example arguments

--input=/inputs/example.fasta
--mode=normalize
--output=/outputs/normalized.fasta

Notes

• Jobs run without outbound network access; upload anything required for reproducibility.