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Published workflow · Temple Compute

Boltz2 Virtual Screening

W-01 · Boltz-2 Virtual Screening

v13 stages2 clones0

The pipeline

Every stage picks its own compute target. Temple Compute OS resolves the dependencies between them and moves the data across each boundary.

  1. 01Build Boltz-2 inputs
    Consumes
    fasta, ligands, src_scripts_prep_py
    Produces
    boltz_inputs
  2. 02Boltz-2 structure + affinity
    Consumes
    boltz_inputs
    Produces
    predictions
  3. 03Rank hits
    Consumes
    predictions, src_scripts_rank_py
    Produces
    top_hits

Run this workflow

This release is frozen and self-contained: the pipeline definition, its input files, and its plugin environment. Open it in Temple Compute OS to clone it into your own account and run it on HPC or any cloud. Temple Compute OS is in private beta, so you will need an invitation first.

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