Files
digital-trial/nf_metabol_screen_adaptive/app/screen.py
Olamide Isreal 9e75f44f1a Digital Trials pipeline configured for WES
Source-only snapshot of the cluster branch for WES execution. Large
reference files (HPA/MANE/ensemble FASTA, model weights, ~597 MB) are
omitted: they are baked into the container images at build time and
mounted from the dreamdock-data PVC at runtime, and exceed the Gitea
request size limit.

Pipeline entry point is main.nf, which orchestrates the biotransformer,
conplex and tissue modules as a single workflow. Ligand inputs are read
from the eureka workspace; protein_zarr and chembl_db come from the
dreamdock-data PVC.
2026-07-27 21:59:52 +01:00

4.0 KiB