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.