9e75f44f1a
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.
15 lines
414 B
YAML
15 lines
414 B
YAML
version: '3.8'
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services:
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metabolite-screen:
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build:
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context: .
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dockerfile: Dockerfile
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image: harbor.cluster.omic.ai/omic/metabolite-screen:adaptive-1.1.1
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command: bash
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stdin_open: true
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tty: true
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volumes:
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- /mnt/dreamdock-data/digital_trials/workdir/52/6cdef3797446aec540843481dae1ca:/workdir
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- /mnt/dreamdock-data/digital_trials:/mnt/dreamdock-data/digital_trials
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