v0.0.3 - Support multiobjective optimization, hybrid GGA XC, OSX
What's Changed
- Add BOTorch Support by @WardLT in #75
- Skip appropriate sections from coverage by @WardLT in #76
- Add support for multi-objective optimization by @WardLT in #77
- Add EHVI, our first multi-objective selector by @WardLT in #78
- Add MOPAC by @WardLT in #83
- Add support for OSX by @WardLT in #84
- Add a starter which picks structurally-distinct molecules by @WardLT in #85
- Add support for B3LYP and other XC by @WardLT in #81
New Contributor
- @mbae26: Added the KMeansStarter class
Full Changelog: v0.0.2...v0.0.3