SAMPL6 Part II - Release the evaluation results of logP predictions

This release adds the performance evaluation of log P prediction methods that participated in the SAMPL6 log P challenge.

Analysis results can be found here:
https://github.com/MobleyLab/SAMPL6/tree/master/physical_properties/logP/analysis

SAMPL6 Part II - Release experimental data for the logP challenge

SAMPL6 Part II log P challenge is now closed for blind submissions. Thanks to everyone who have participated in the log P challenge!

Experimental log P measurements were included in this repository after the challenge deadline and can be found here: physical_properties/logP/experimental_data/.

SAMPL6 Part II - Announcing log P challenge submissions are open.

Submissions for SAMPL6 Part II log P challenge are now open via the D3R SAMPL webpage.

Instructions on how to submit prediction were added to "Uploading your predictions" section of log P challenge instructions.

Version 1.13: SAMPL6 Part II - Instructions for log P challenge posted.

This release announces SAMPL6 Part II log P challenge. Instructions and input files for log P prediction challenge are available.

Version 1.12: Update preliminary SAMPLing analysis

This is an update of the preliminary SAMPLing analysis.

Version 1.11: More NMR data, improved plots and organization

Includes NMR data for SM14, adds additional error analysis, paper figures, improves organization of repo, and clarifications of README and other information in various places. Also added Zenodo integration to trigger DOIs for releases.

Version 1.10 - Submissions analysis

Include the analysis of the binding host-guest, pKa (type-I), and SAMPLing challenges, as well as the microstate characterization of SM07 with NMR experiments.

Version 1.9 - Experimental data

Include experimental measurements for the pKa challenge and the binding host-guest challenge.

Version 1.8

This version adds the following new microstate ID for SM10: SM10_micro038
Updates microstate lists and microstate pair lists accordingly.

Version 1.7

This version adds the following new microstate IDs for SM18 and SM20 based on requests from participants:

• SM20_micro005
• SM20_micro006
• SM18_micro075
• SM18_micro076

Updates microstate lists and microstate pair lists accordingly.