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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Add options for metabolites not existing and process failed
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Remove unnecessary data while process is running, take up too much memory
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ncbiproteins_seq_exist.csv is replaced with ncbiproteins_seq_exist_reduce.csv so it will be able to fit to gitlab
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