ChEMBL - Data Lakehouse Ready

Stream data with DDA:

from dagshub.streaming import DagsHubFilesystem

fs = DagsHubFilesystem(".", repo_url="https://dagshub.com/DagsHub-Datasets/chembl-dataset")

fs.listdir("s3://aws-roda-hcls-datalake/chembl_29/")

Description:

ChEMBL is a manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs. This representation of ChEMBL is stored in Parquet format and most easily utilized through Amazon Athena. Follow the documentation for install instructions (< 2 minute install). New ChEMBL releases occur sporadically; the most up to date information on ChEMBL releases can be found here.

Contact:

ChEMBL is a manually curated database of bioactive molecules with drug-like properties. It brings together chemical, bioactivity and genomic data to aid the translation of genomic information into effective new drugs. This representation of ChEMBL is stored in Parquet format and most easily utilized through Amazon Athena. Follow the documentation for install instructions (< 2 minute install). New ChEMBL releases occur sporadically; the most up to date information on ChEMBL releases can be found here.

Update Frequency:

Upon request. We try to keep it updated to every odd version.

Managed By:

https://aws.amazon.com/

Resources:

1. resource:

   • Description: ChEMBL 29
   • ARN: arn:aws:s3:::aws-roda-hcls-datalake/chembl_29/
   • Region: us-east-1
   • Type: S3 Bucket

2. resource:

   • Description: ChEMBL 27
   • ARN: arn:aws:s3:::aws-roda-hcls-datalake/chembl_27/
   • Region: us-east-1
   • Type: S3 Bucket

3. resource:

   • Description: ChEMBL 25
   • ARN: arn:aws:s3:::aws-roda-hcls-datalake/chembl_25/
   • Region: us-east-1
   • Type: S3 Bucket

Tags:

chemistry, genomic, molecule, life sciences, biotech blueprint, parquet

Tutorials:

1. tutorial:
   • Title: Data Lake as Code Deployment Guide
   • URL: https://github.com/aws-samples/data-lake-as-code/blob/roda/docs/roda_install.md
   • AuthorName: AWS Biotech Blueprints Team
   • Services: Athena, Glue, Lake Formation

Publication:

1. publication:
   • Title: Data Lake as Code, Featuring ChEMBL and Open Targets
   • URL: https://aws.amazon.com/blogs/startups/a-data-lake-as-code-featuring-chembl-and-opentargets/
   • AuthorName: Paul Underwood