Note: This is not an official Google product.
To install the cheminformatics package, open a cloud shell in the context of a project.
Enable the following APIs
- gcloud services enable bigqueryconnection.googleapis.com
- gcloud services enable cloudfunctions.googleapis.com
- gcloud services enable run.googleapis.com
- gcloud services enable artifactregistry.googleapis.com
- gcloud services enable cloudbuild.googleapis.com
Installing the package requires the following permissions:
- BigQuery Admin
- Cloud Functions Admin
- Service Account User
As a user with above permissions, run install_cheminformatics.sh
This will:
- create a new dataset named "cheminformatics"
- create a connection
- create the cloud functions (that wrap RDKit and Biopython)
- assign IAM permissions for the connection service account to invoke each cloud function
- assign IAM permissions for the connection service account to the underlying cloud run service (Cloud Functions Gen2)
- create the BQ functions
Using the package requires the following permissions:
- BigQuery User
- BigQuery Connection User
- BigQuery Metadata Viewer