Open data
|
Deployed on AWS
Aggregating critical information to accelerate drug discovery for the molecular modeling and simulation community.
A community-driven data repository and curation service for molecular structures, models, therapeutics, and
simulations related to computational research related to therapeutic opportunities for COVID-19
(caused by the SARS-CoV-2 coronavirus).
Overview
Aggregating critical information to accelerate drug discovery for the molecular modeling and simulation community. A community-driven data repository and curation service for molecular structures, models, therapeutics, and simulations related to computational research related to therapeutic opportunities for COVID-19 (caused by the SARS-CoV-2 coronavirus).
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.
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
- Data storage of for the MolSSI and BioExcel COVID-19 Hub. Includes atomistic structures (often as PDB), refined models (as PDB or higher resolution molecular file types), simulations (file types a function of the simulation program, usually compressed as zip or tarball), drug databases of conformers and tautomers (primarily compressed mol2 files), and any additional supporting files necessary to reproduce or process the data included in the the compressed package (e.g. simulation inputs).
- Resource type
- S3 bucket
- Amazon Resource Name (ARN)
- arn:aws:s3:::molssi-bioexcel-covid-19-structure-therapeutics-hub
- AWS region
- us-east-1
- AWS CLI access (No AWS account required)
- aws s3 ls --no-sign-request s3://molssi-bioexcel-covid-19-structure-therapeutics-hub/
Resources
Vendor resources
Support
Contact
Managed By
How to cite
COVID-19 Molecular Structure and Therapeutics Hub was accessed on DATE from https://registry.opendata.aws/molssi-covid19-hub .
License
Most data will be in an open license provided by the contributing individual(s). Neither MolSSI nor BioExcel hold the license(s) for data in the data set unless explicitly noted.
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