Verification against workspace/main.py (b49ccff submodule) and
workspace-runtime.md (molecule-core main):
- PLATFORM_URL: MOLECULE_API_URL does not exist in the workspace
runtime; correct env var is PLATFORM_URL (workspace/main.py line 85).
Updated all occurrences: env vars table, Docker run, Docker Compose,
Python example, troubleshooting table.
- MOLECULE_API_KEY: not a real workspace env var; removed from Docker
run and Compose examples. The workspace runtime obtains its bearer
token from the platform automatically during registration.
- AGENT_CARD_URL: not a real env var; removed from env vars table.
The workspace generates its URL internally from HOSTNAME+port.
- Healthcheck endpoint: /agent/card is the MCP HTTP/SSE transport
path (separate binary). The A2A workspace agent serves the Agent
Card at /.well-known/agent-card.json (confirmed in boot_routes.py
and agent-card.md). Updated all healthcheck targets accordingly.
- Kubernetes terminationGracePeriodSeconds: 30s is incompatible with
the liveness probe (initialDelay=30 + 3×30s = ~120–150s to
register a failure). Changed to 120s and corrected the note to
reflect the actual failure window.
- Python example: replaced non-existent RemoteAgentClient with correct
HeartbeatLoop class from heartbeat.py.
- Graceful shutdown description: corrected to reflect uvicorn's actual
shutdown behavior (heartbeat.stop() in finally block) rather than
the non-existent stop_event pattern.
Co-Authored-By: Claude Opus 4.7 <noreply@anthropic.com>
title: Self-Hosted Workspace Deployment with Docker
---
# Self-Hosted Workspace Deployment with Docker
This guide covers running a Molecule AI workspace agent as a Docker container on a self-hosted server or VM. It covers the Docker image, required environment variables, the built-in healthcheck, graceful shutdown, and Kubernetes deployment considerations.
> **Prerequisites:** A running Molecule AI control plane (self-hosted or SaaS), an `ADMIN_TOKEN` or org-scoped API key with admin scope, and Docker 20.10+ on the host.
## How the workspace container works
The Molecule AI workspace Dockerfile includes:
- A uvicorn server on port 8000 (configurable via `PORT`)
- A healthcheck endpoint at `/.well-known/agent-card.json` (used by Docker and Kubernetes probes)
- Graceful SIGTERM handling via uvicorn — the heartbeat loop and adapter tasks shut down cleanly
Save the returned `WORKSPACE_ID`. The workspace agent obtains its bearer token automatically during its first registration with the platform.
## Step 2: Pull the workspace image
The workspace image is published to the Molecule AI ECR registry. Contact your platform administrator for the registry prefix and credentials, then log in:
| `PLATFORM_URL` | `http://localhost:8080` | Platform API URL. Inside a Docker container, use `http://host.docker.internal:8080` to reach the platform on the host machine. |
| `WORKSPACE_ID` | — | Workspace ID from Step 1 (required; no default) |
| `PORT` | `8000` | Agent server port. Must match `containerPort` in Kubernetes and the port mapped with `-p` in Docker. |
> **Note for Linux hosts:** Docker does not include `host.docker.internal` by default. On Linux, either add `--add-host=host.docker.internal:host-gateway` to the `docker run` command, or use the host machine's IP address directly (e.g. `http://192.168.1.100:8080`).
### Verify the healthcheck
```bash
# Wait for the container to become healthy (up to ~2 minutes)
When the container receives SIGTERM (e.g. from `docker stop` or Kubernetes pod deletion), the workspace's uvicorn server initiates graceful shutdown: the heartbeat loop stops, active A2A tasks are given a grace period to complete, and any snapshotable state is persisted before the process exits.
To integrate the heartbeat loop into custom agent code:
```python
importasyncio
importos,signal
fromheartbeatimportHeartbeatLoop
# SIGTERM is handled by the Docker runtime, which sends the signal to the
# workspace process. The workspace (via uvicorn) initiates graceful shutdown:
# the heartbeat loop is stopped, any active adapter tasks are cancelled, and
# in-flight A2A requests are given a grace period to complete.
#
# For custom integration with the heartbeat loop directly:
asyncdefmain():
heartbeat=HeartbeatLoop(
platform_url=os.environ["PLATFORM_URL"],
workspace_id=os.environ["WORKSPACE_ID"],
)
heartbeat.start()
try:
awaitasyncio.Event().wait()# keep running
finally:
awaitheartbeat.stop()
print("Heartbeat loop stopped.")
```
The Docker `stop` command sends SIGTERM and waits up to 10 seconds by default before sending SIGKILL. The healthcheck ensures orchestrators detect an unhealthy container before the SIGTERM timeout.
## Kubernetes deployment
For Kubernetes deployments, use the native liveness/readiness probe configuration instead of the Docker HEALTHCHECK:
```yaml
ports:
- name:http
containerPort:8000
livenessProbe:
httpGet:
path:/.well-known/agent-card.json
port:http
initialDelaySeconds:30
periodSeconds:30
timeoutSeconds:5
failureThreshold:3
readinessProbe:
httpGet:
path:/.well-known/agent-card.json
port:http
initialDelaySeconds:10
periodSeconds:10
timeoutSeconds:5
failureThreshold:3
terminationGracePeriodSeconds:120
```
> **Note:** The Kubernetes `terminationGracePeriodSeconds` should exceed the liveness probe failure threshold so that the probe can register a failure before the pod is killed. With `periodSeconds: 30` and `failureThreshold: 3`, the probe does not register a failure until approximately 120–150s after the container becomes unhealthy. Set `terminationGracePeriodSeconds: 120` or higher.
## Troubleshooting
| Symptom | Cause | Fix |
|---|---|---|
| Container shows `unhealthy` after startup | Platform unreachable from container | Verify `PLATFORM_URL` uses `host.docker.internal` (Docker) or the correct host IP |
| `curl: (7) Failed to connect` on healthcheck | Container not fully started | Wait up to 30s; increase `start_period` |
| Agent not appearing on canvas | Wrong `WORKSPACE_ID` or expired token | Re-run registration; check platform logs |
| `host.docker.internal` not resolved | Linux host without the Docker flag | Use `--add-host=host.docker.internal:host-gateway` or the host's LAN IP |
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