Add physical properties analysis for logP and pKa. This is a retroactive point release to tag specific older commits
Submissions for SAMPL6 Part II logP challenge are now open via the D3R SAMPL webpage. Instructions o...
This is the research artifact for peer review, for the Quickstrom property-based testing tool. Plea...
This is simply a copy of the current yearly release, including the following additions: New fingerp...
This release includes changes previously pushed to master; essentially, it finalizes the physical pr...
Adds initial logD notebook/analysis from Tielker. This is a retroactive release to tag specific olde...
This 1.0 release adds a large amount of additional data and analysis from our last release, includin...
This is a talk from the GCC/SAMPL workshop, Nov. 4, 2020, by David Mobley; it gives an overview of S...
This version incorporates diverse changes since the last release, particularly incorporation of the ...
This point release: Fixed two log P submissions that had errors and updated the overview plots/stat...
This release adds the performance evaluation of log P prediction methods that participated in the SA...
This release includes these additional updates: 2021-10-05: Update two logP/logD experimental value...
SAMPL6 Part II log P challenge is now closed for blind submissions. Thanks to everyone who have part...
Finalizes host-guest challenges Add nanoluc challenge (stage 1 and 2) as well as experimental result...
This release announces SAMPL6 Part II log P challenge. Instructions and input files for log P predic...
Adds host-guest submission template files and instructions; makes more clear which compounds/cases a...
Submissions for SAMPL6 Part II logP challenge are now open via the D3R SAMPL webpage. Instructions o...
This is the research artifact for peer review, for the Quickstrom property-based testing tool. Plea...
This is simply a copy of the current yearly release, including the following additions: New fingerp...
This release includes changes previously pushed to master; essentially, it finalizes the physical pr...
Adds initial logD notebook/analysis from Tielker. This is a retroactive release to tag specific olde...
This 1.0 release adds a large amount of additional data and analysis from our last release, includin...
This is a talk from the GCC/SAMPL workshop, Nov. 4, 2020, by David Mobley; it gives an overview of S...
This version incorporates diverse changes since the last release, particularly incorporation of the ...
This point release: Fixed two log P submissions that had errors and updated the overview plots/stat...
This release adds the performance evaluation of log P prediction methods that participated in the SA...
This release includes these additional updates: 2021-10-05: Update two logP/logD experimental value...
SAMPL6 Part II log P challenge is now closed for blind submissions. Thanks to everyone who have part...
Finalizes host-guest challenges Add nanoluc challenge (stage 1 and 2) as well as experimental result...
This release announces SAMPL6 Part II log P challenge. Instructions and input files for log P predic...
Adds host-guest submission template files and instructions; makes more clear which compounds/cases a...
Submissions for SAMPL6 Part II logP challenge are now open via the D3R SAMPL webpage. Instructions o...
This is the research artifact for peer review, for the Quickstrom property-based testing tool. Plea...
This is simply a copy of the current yearly release, including the following additions: New fingerp...
DOI
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