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
1.3 KiB
JSON
20 lines
1.3 KiB
JSON
{
|
|
"container_biotransformer": "harbor.cluster.omic.ai/omic/digitaltrials/biotransformer@sha256:fb8bdc0b65376bc154b6051ae07079dd9a0e25c3f4c02de73c502002a94d69d5",
|
|
"container_conplex": "harbor.cluster.omic.ai/omic/digitaltrials/conplex_dig_pat@sha256:7a3523dba6fa01e3adc9cb79af5e1dcbd2a19d9f92e37cd10df462766078ede3",
|
|
"container_tissue": "harbor.cluster.omic.ai/omic/digitaltrials/tissue:1.0.2",
|
|
"container_preprocess": "harbor.cluster.omic.ai/omic/metabolite-screen@sha256:872c395e21abd4afea4185b269a8218da4737bd7adbb2cbe2bdf9a1b9c70db17",
|
|
"container_mass_screen": "harbor.cluster.omic.ai/omic/metabolite-screen@sha256:89fe2221ff6c1e67d20294944f97418f2665d95b9fb873eba9e1fcf3dc6d1ea7",
|
|
"container_chembl": "harbor.cluster.omic.ai/omic/digitaltrials/chembl:1.0.0",
|
|
"containerOptions": "--rm",
|
|
"mode": "HUMAN",
|
|
"keep_enst": false,
|
|
"threshold": 0.65,
|
|
"protein_network_threshold": 0.65,
|
|
"project_name": "input_to_run",
|
|
"outdir": "/mnt/dreamdock-data/digital_trials/output",
|
|
"ligands": "/mnt/dreamdock-data/digital_trials/input/input_to_run",
|
|
"mutated_protein_fasta": "/mnt/dreamdock-data/digital_trials/input/blank",
|
|
"protein_zarr": "/mnt/dreamdock-data/digital_trials/zarr/protein_seq.zarr",
|
|
"chembl_db": "/mnt/dreamdock-data/digital_trials/chembl/chembl_36.db"
|
|
}
|