
Overview
Folding@home is a massively distributed computing project that uses biomolecular simulations to investigate the molecular origins of disease and accelerate the discovery of new therapies. Run by the Folding@home Consortium , a worldwide network of research laboratories focusing on a variety of different diseases, Folding@home seeks to address problems in human health on a scale that is infeasible by another other means, sharing the results of these large-scale studies with the research community through peer-reviewed publications and publicly shared datasets. During the COVID-19 epidemic , Folding@home focused its resources on understanding the vulnerabilities in SARS-CoV-2 , the virus that causes COVID-19 disease, and working closely with a number of experimental collaborators to accelerate progress toward effective therapies for treating COVID-19 and ending the pandemic. In the process, it created the world's first exascale distributed computing resource , enabling it to generate valuable scientific datasets of unprecedented size. More information about Folding@home's COVID-19 research activities at the Folding@home COVID-19 page . In addition to working directly with experimental collaborators and rapidly sharing new research findings through preprint servers, Folding@home has joined other researchers in committing to rapidly share all COVID-19 research data , and has joined forces with AWS and the Molecular Sciences Software Institute (MolSSI) to share datasets of unprecedented side through the AWS Open Data Registry , indexing these massive datasets via the MolSSI COVID-19 Molecular Structure and Therapeutics Hub . The complete index of all Folding@home datasets can be found here . This repository contains several major datasets from this effort and comprises the single largest collection of molecular simulation data ever released.
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This is a publicly available data set. No subscription is required.
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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
- Simulations of SARS-CoV-2 and associated host proteins, with emphasis on discovering druggable cryptic pockets, documented at the [MolSSI COVID Hub](https://covid.molssi.org//simulations/#foldinghome-simulations-of-the-sars-cov-2-spike-protein-spike-spike-binding).
- Resource type
- S3 bucket
- Amazon Resource Name (ARN)
- arn:aws:s3:::fah-public-data-covid19-cryptic-pockets
- AWS region
- us-east-2
- AWS CLI access (No AWS account required)
- aws s3 ls --no-sign-request s3://fah-public-data-covid19-cryptic-pockets/
- Description
- Simulations of SARS-CoV-2 and associated host proteins relevant to neutralization by therapeutic antibodies, documented at the [MolSSI COVID Hub](https://covid.molssi.org//simulations/#foldinghome-simulations-of-the-sars-cov-2-spike-rbd-bound-to-human-ace2).
- Resource type
- S3 bucket
- Amazon Resource Name (ARN)
- arn:aws:s3:::fah-public-data-covid19-antibodies
- AWS region
- us-east-2
- AWS CLI access (No AWS account required)
- aws s3 ls --no-sign-request s3://fah-public-data-covid19-antibodies/
- Description
- Absolute free energy calculations of small molecules from the [COVID Moonshot](http://postera.ai), documented at the [MolSSI COVID Hub](https://covid.molssi.org//simulations/#foldinghome-expanded-ensemble-absolute-free-energy-calculations-of-potential-small-molecule-inhibitors-of-the-sars-cov-2-main-protease-from-the-covid-moonshot-3clpro-3clpro-protease-activity)
- Resource type
- S3 bucket
- Amazon Resource Name (ARN)
- arn:aws:s3:::fah-public-data-covid19-absolute-free-energy
- AWS region
- us-east-2
- AWS CLI access (No AWS account required)
- aws s3 ls --no-sign-request s3://fah-public-data-covid19-absolute-free-energy/
- Description
- Simulations of target proteins and bound small molecules from the [COVID Moonshot](http://postera.ai), documented at the [MolSSI COVID Hub](https://covid.molssi.org//simulations/#foldinghome-sars-cov-2-main-protease-apo-monomer-simulations-3clpro-3clpro-protease-activity)
- Resource type
- S3 bucket
- Amazon Resource Name (ARN)
- arn:aws:s3:::fah-public-data-covid19-moonshot-dynamics
- AWS region
- us-east-2
- AWS CLI access (No AWS account required)
- aws s3 ls --no-sign-request s3://fah-public-data-covid19-moonshot-dynamics/
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Folding@home
How to cite
Foldingathome COVID-19 Datasets was accessed on DATE from https://registry.opendata.aws/foldingathome-covid19 .