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Model Zoo

Purpose

Model Zoo centrally downloads and updates models used by WA-DD. It uses a path layout compatible with later VOS model-hub integration and keeps only model download, update, and path management. It does not include model runtime instance management.

Pinned project models are shown at the top:

  • PocketXMol: used by molecule generation.
  • DeepTernary: used by TPD / PROTAC ternary-complex modeling.

The lower section provides a custom model download form for ModelScope or HuggingFace repository IDs.

Path contract

In standalone deployments, the wa-dd-model-zoo container mounts ${MODEL_HUB_SHARED_MODELS_PATH} as /data. The model service therefore maintains:

/data/export/ms/<org>/<repo>/snapshots/<snapshot>
/data/export/ms/<org>/<repo>/current
/data/export/hf/<org>/<repo>/snapshots/<snapshot>
/data/export/hf/<org>/<repo>/current

The web and worker containers mount the same host directory as /modelhub and read:

/modelhub/export/ms/<org>/<repo>/current
/modelhub/export/hf/<org>/<repo>/current

Do not place models in another directory manually. Otherwise Model Zoo, the later integrated model-hub, and workers cannot recognize and update them through the same rules.

Workflow

  1. Open Model Zoo from the top navigation.
  2. In "Project models", check PocketXMol and DeepTernary status.
  3. If a model is not ready, click "Download model".
  4. To force a new snapshot, click "Update model".
  5. To download another model, choose the source and enter a repository ID in "Custom model download", for example huluxiaohuowa/deepternary.

Download or update writes into a new snapshot and switches current only after required files pass validation. If an existing current already satisfies required files, a normal download does not blindly re-download it.

Permissions

  • Viewing model status requires login.
  • Downloading and updating models are global operations and require administrator permission.

Pinned models

PocketXMol

Pinned repository:

ms://huluxiaohuowa/pocketxmol

Stable read path:

/modelhub/export/ms/huluxiaohuowa/pocketxmol/current

Required files:

data/trained_models/pxm/checkpoints/pocketxmol.ckpt
data/trained_models/pxm/train_config/train.yml

DeepTernary

Pinned repository:

ms://huluxiaohuowa/deepternary

Stable read path:

/modelhub/export/ms/huluxiaohuowa/deepternary/current

Required files:

checkpoints/PROTAC/checkpoint.pth
checkpoints/MGD/checkpoint.pth
configs/protac.py
configs/glue.py

Deployment component

Model Zoo is an independent CPU service:

./build_image.sh --profile amd --component model-zoo
./deploy.sh --profile amd --component model-zoo

For an already running deployment, --root may be omitted; the deployment script detects the runtime root and port from the running Web container. First deployments, recovery deployments, and new coexisting deployments must still pass --root explicitly.

Thor / ARM uses the same Dockerfile and only changes the platform tag to arm_YYYYMMDD:

./build_image.sh --profile thor --component model-zoo

Related image variables:

WA_DD_MODEL_ZOO_AMD_IMAGE=
WA_DD_MODEL_ZOO_THOR_IMAGE=

The web service accesses Model Zoo through the internal address:

WA_DD_MODEL_ZOO_URL=http://wa-dd-model-zoo:8810