Published April 20, 2021
| Version 0.7
Software
Open
samplchallenges/SAMPL7: Version 0.7: Add physical property analysis
Authors/Creators
- 1. @MobleyLab
- 2. University of California, Irvine
- 3. Memorial Sloan Kettering Cancer Center
- 4. Chodera Lab
- 5. UC Irvine
Description
Add physical properties analysis for logP and pKa. This is a retroactive point release to tag specific older commits.
Files
samplchallenges/SAMPL7-0.7.zip
Files
(210.9 MB)
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md5:4afc341903f9047b255a465168055584
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Additional details
Related works
- Is supplement to
- https://github.com/samplchallenges/SAMPL7/tree/0.7 (URL)