Macs in Chemistry

Insanely Great Science

Amazone Web Services

Amazon Web Services (AWS) has provided companies of all sizes with an infrastructure web services platform in the cloud. With AWS you can requisition compute power, storage, and other services–gaining access to a suite of elastic IT infrastructure services as your business demands them. With AWS you have the flexibility to choose whichever development platform or programming model makes the most sense for the problems you’re trying to solve.
Available AWS Hosted Public Data Sets
AWS will continue to add to the available collection of public domain or non-proprietary data sets over time. The data sets currently available are shown below. The Linux/UNIX snapshots are in ISO9660 format and the Windows snapshots are in NTFS format. They are rapidly working to expand this list, so check back frequently as they will be adding new data sets soon.
BIOLOGY
  • Annotated Human Genome Data provided by ENSEMBL – COMING SOON
    An annotated form of the Human Genome, perfect for biological research
CHEMISTRY
  • A 3D Version of the PubChem Library provided by Rajarshi Guha at Indiana University
    A 3D (single conformer) version of Pubchem, a public database of chemical structures in SD Format
    • Linux/UNIX: snap-a8dd3dc1
    • Windows: snap-40dd3d29
  • UGI Virtual Conformer Library provided by Rajarshi Guha at Indiana University
    80GB of data in SD format on conformers for 500,000 molecules that can be used for virtual screening
    • Linux/UNIX: snap-59d33330
    • Windows: snap-48ce2r21
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