samplchallenges/SAMPL8: 1.0.0

This 1.0 release adds a large amount of additional data and analysis from our last release, including: Add SAMPL8 CB8 submissions/data/experiments Add CB8 analysis Add GDCC challenge/experiments/results Add GSK physical properties challenge and challenge Run GSK physical properties challenge Add info on physical properties experiments Add GSK physical properties experimental results Add pKa/logD analysis See detailed changelog in overall README.md for more details.

Related Organizations

Italian Institute of Technology
Italy
University of California, Irvine
United States

2 Research products, page 1 of 1

Application of the alchemical transfer and potential of mean force methods to the SAMPL8 host-guest blinded challenge
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samplchallenges/SAMPL8: SAMPL8 CB8 "drugs of abuse" challenge inputs
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