Getting Started

Authentication

Every request is authenticated with a bearer API key scoped to your organization.

Creating an API key#

  • Go to API Keys
  • Click New API key, give it a descriptive name (e.g. prod-cluster)
  • Copy the key once — it's never shown again
Keys prefixed mh_live_ hit your billing limits. Usemh_test_ keys in CI and notebooks.

Using the key#

Pass the key in the Authorization header:

bash
curl https://api.molhub.io/v1/me \
  -H "Authorization: Bearer mh_live_********************"

Or via SDK environment variables:

python
import os
from pymolhub import MolHub

mh = MolHub(api_key=os.environ["MOLHUB_API_KEY"])

Scopes & permissions#

  • molecules:write — upload & normalize molecules
  • docking:write — submit / cancel docking jobs
  • qm:write — upload QM logs
  • datasets:write — create & export datasets
  • billing:read — view invoices and usage

Rotating keys#

Issue a new key, deploy it, then revoke the old one from API Keys. Revocation takes effect immediately on all replicas.