
Sold by: John Irwin
Open data
|
Deployed on AWS
3D models for molecular docking screens.
Overview
3D models for molecular docking screens.
Features and programs
Open Data Sponsorship Program
This dataset is part of the Open Data Sponsorship Program, an AWS program that covers the cost of storage for publicly available high-value cloud-optimized datasets.
Pricing
This is a publicly available data set. No subscription is required.
How can we make this page better?
We'd like to hear your feedback and ideas on how to improve this page.
Legal
Content disclaimer
Vendors are responsible for their product descriptions and other product content. AWS does not warrant that vendors' product descriptions or other product content are accurate, complete, reliable, current, or error-free.
Delivery details
AWS Data Exchange (ADX)
AWS Data Exchange is a service that helps AWS easily share and manage data entitlements from other organizations at scale.
Open data resources
Available with or without an AWS account.
- How to use
- To access these resources, reference the Amazon Resource Name (ARN) using the AWS Command Line Interface (CLI). Learn more
- Description
- 3D molecular docking structure files in db2.gz, sdf and mol2 formats.
- Resource type
- S3 bucket
- Amazon Resource Name (ARN)
- arn:aws:s3:::zinc3d
- AWS region
- us-east-1
- AWS CLI access (No AWS account required)
- aws s3 ls --no-sign-request s3://zinc3d/
Resources
Vendor resources
Support
Contact
Managed By
How to cite
ZINC Database was accessed on DATE from https://registry.opendata.aws/zinc15 .
License
ZINC is free as in beer. You may not redistribute without the written permission of John Irwin
Similar products
SG4D100M is a state-of-the-art molecular foundation model that revolutionizes drug discovery and chemical development. Built on advanced transformer architecture with SE(3) invariance, it enables accurate molecular property prediction and structural analysis across pharmaceutical, specialty chemical, and agricultural applications.

The global Zinc Sulphate Market size was valued at USD 2.14 billion in 2024, with an estimation of USD 2.30 billion in 2025, and is predicted to reach USD 3.25 billion by 2030 with a CAGR of 7.2% from 2025-2030. The industry is witnessing robust growth, driven primarily by its widespread use in agriculture, pharmaceuticals, and animal feed. Source: https://www.nextmsc.com/report/zinc-sulphate-market-mc3561
Secfix is a European-based security and compliance automation platform made for startups and SMBs. The platform automates up to 90% of the effort to achieve ISO 27001, SOC 2, GDPR, NIS2 and other certifications through deep integrations to AWS cloud, SSO, ticketing and HR systems. With direct access to European auditors and multilingual support, Secfix makes the audit experience smooth and stress-free.

The aluminum alloys market valued at USD 198.19 billion in 2024 is projected to attain USD 285.58 billion by 2030 expanding at a CAGR of 8.1 percent from 2025 to 2030 propelled by electric vehicle growth construction renewable energy demands and advancements in sustainable manufacturing.