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Published September 14, 2020 | Version 0.1.0
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samplchallenges/SAMPL8: SAMPL8 CB8 "drugs of abuse" challenge inputs

  • 1. University of California, Irvine

Description

This archives the final inputs that were available for the SAMPL8 CB8 drugs of abuse challenge. Previous changes included here were:

  • June 9, 2020: Add first info on CB8 "drugs of abuse" challenge from Isaacs.
  • June 16, 2020: Fix cocaine structure, which was incorrectly listed as the ethyl ether rather than the methyl ether. Affects all G7 files.
  • August 21, 2020: Add CB8 submission template file and host-guest instructions (for now only for CB8, other host-guest system information will be updated as it becomes available).
  • Sept. 2, 2020: Add submission instructions. The submissions system is now live at http://sampl-submit.us-west-1.elasticbeanstalk.com/submit/SAMPL8-Isaacs.

Files

samplchallenges/SAMPL8-0.1.0.zip

Files (806.4 kB)

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