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.
20 lines
550 B
Plaintext
Executable File
20 lines
550 B
Plaintext
Executable File
# Use the specified Micromamba base image with CUDA 11.7
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FROM mambaorg/micromamba:2.1.1
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USER root
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ARG MAMBA_DOCKERFILE_ACTIVATE=1
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RUN micromamba install -y python=3.9 procps-ng pandas numpy && \
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pip install pandas numpy && \
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micromamba clean --all --yes
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# Package into python script for running in nextflow
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COPY drug_tissue_distribution.py /home/omic/drug_tissue_distribution.py
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# Copy reference files
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COPY HPA_normal_ihc_data.tsv /home/omic/
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COPY MANE_all_transcipts.csv /home/omic/
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COPY digital_patient_extract_metrics.py /home/omic/ |