zinc15.yaml

Name: ZINC Database
Description: 3D models for molecular docking screens
Contact: John Irwin chemistry4biology@gmail.com
ManagedBy: John Irwin
UpdateFrequency:  Monthly
Tags:
  - aws-pds
  - biology
  - chemical biology
  - pharmaceutical
  - molecular docking
License: ZINC is free as in beer. You may not redistribute without the written permission of John Irwin chemistry4biology@gmail.com
Documentation: http://wiki.docking.org/index.php/ZINC15:Resources
Resources:
  - Description: 3D molecular docking structure files in db2.gz, sdf and mol2 formats
    ARN: arn:aws:s3:::zinc3d
    Region: us-east-1
    Type: S3 Bucket
    RequesterPays: True
DataAtWork:
  Tutorials:
  Tools & Applications:
  Publications:
    - Title: ZINC Database
      URL: http://zinc15.docking.org
      AuthorName: John Irwin
      AuthorURL: http://irwinlab.compbio.ucsf.edu