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.

docker-compose.yml

@@ -0,0 +1,21 @@
+version: '3.8'
+
+services:
+  tissue:
+    build:
+      context: .
+      dockerfile: Dockerfile_tissue
+    image: harbor.cluster.omic.ai/omic/digitaltrials/tissue:1.1.1
+  chembl:
+    build:
+      context: .
+      dockerfile: Dockerfile_chembl
+    image: harbor.cluster.omic.ai/omic/digitaltrials/chembl:1.0.0
+  network:
+    build:
+      context: .
+      dockerfile: Dockerfile_network
+    image: harbor.cluster.omic.ai/omic/digitaltrials/network:1.0.0
+    volumes:
+      - /data/bugra/digital_trials/work/48/1e78bc2c0d60c8f0e72800d6226604:/workdir
+      - /data/:/data