fah-covid-pds.yaml

Name: Folding@home COVID-19 datasets
Description: |
  Folding@home is generating a significant amount of molecular dynamics simulation
  data to identify cryptic pockets, understand antibody binding mechanisms, and identify
  new small molecule therapeutics for human and SARS-CoV-2 proteins associated with COVID-19 disease.
  This repository contains several major datasets from this effort.
  All Folding@home COVID-19 simulation datasets are indexed in more detail at http://covid.molssi.org/simulations

Documentation: https://docs.opendata.aws/foldingathome-covid19/readme.html
Contact: https://foldingathome.org/diseases/infectious-diseases/covid-19/
UpdateFrequency: Not updated
Tags:
  - aws-pds
  - molecular-dynamics
  - coronavirus
  - COVID-19
  - health
  - life sciences
License: CC0, https://creativecommons.org/share-your-work/public-domain/cc0/
Resources:
  # WashU
  - Description: COVID-19 cryptic pockets dataset (deeplink to MolSSI COVID site with more info)
    ARN: arn:aws:s3:::foldingathome-covid19-cryptic-pockets
    Region: us-east-1
    Type: S3 Bucket
  # Temple U
  - Description: COVID Moonshot absolute free energy calculations
    ARN: arn:aws:s3:::foldingathome-covid19-absolute-free-energy
    Region: us-east-1
    Type: S3 Bucket
  # MSKCC
  - Description: COVID Moonshot relative free energy calculations
    ARN: arn:aws:s3:::foldingathome-covid19-relative-free-energy
    Region: us-east-1
    Type: S3 Bucket
  - Description: COVID-19 antibody:antigen simulations
    ARN: arn:aws:s3:::foldingathome-covid19-antibodies
    Region: us-east-1
    Type: S3 Bucket
  - Description: COVID Moonshot main viral protease dynamics
    ARN: arn:aws:s3:::foldingathome-covid19-moonshot-dynamics
    Region: us-east-1
    Type: S3 Bucket
DataAtWork:
  Tutorials:
  Tools & Applications:
  Publications:
    - Title: Exploratory data analysis of genomic datasets using ADAM and Mango with Apache Spark on Amazon EMR
      URL: https://aws.amazon.com/blogs/big-data/exploratory-data-analysis-of-genomic-datasets-using-adam-and-mango-with-apache-spark-on-amazon-emr/
      AuthorName: Alyssa Marrow
      AuthorURL: https://research.eecs.berkeley.edu/~akmorrow/