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.
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.gitignore
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12
.gitignore
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work
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.nextflow
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*.ignored
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ncbiproteins_seq*
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/input/
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# Large STRING-DB reference files (baked into Docker image, not needed in git)
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app_network/9606.protein.aliases.v12.0.txt
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app_network/9606.protein.enrichment.terms.v12.0.txt
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app_network/9606.protein.links.detailed.v12.0.txt
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app_network/9606.protein.links.v12.0.txt
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