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    Foldingathome COVID-19 Datasets

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    Open data
    |
    Deployed on AWS
    [Folding@home](http://foldingathome.org) is a massively distributed computing project that uses biomolecular simulations to investigate the [molecular origins of disease](https://foldingathome.org/diseases/) and accelerate the discovery of new therapies. Run by the [Folding@home Consortium](https://foldingathome.org/about/the-foldinghome-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](https://foldingathome.org/papers-results/) and publicly shared datasets. During the [COVID-19 epidemic](https://en.wikipedia.org/wiki/Coronavirus_disease_2019), Folding@home focused its resources on understanding the vulnerabilities in [SARS-CoV-2](https://en.wikipedia.org/wiki/Severe_acute_respiratory_syndrome_coronavirus_2),[...]

    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.

    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.

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    This is a publicly available data set. No subscription is required.

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    Usage information

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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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    Managed By

    Folding@home

    How to cite

    Foldingathome COVID-19 Datasets was accessed on DATE from https://registry.opendata.aws/foldingathome-covid19 .

    License