Published September 14, 2020
| Version 0.1.0
Software
Open
samplchallenges/SAMPL8: SAMPL8 CB8 "drugs of abuse" challenge inputs
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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Additional details
Related works
- Is supplement to
- https://github.com/samplchallenges/SAMPL8/tree/0.1.0 (URL)