0.2.0 Addition of new targets
Pre-release
Pre-release
This release
- adds data for 7 targets: cdk8, eg5, hif2a, pfkfb3, shp2, syk, tnks2 of the Merck fep-benchmark dataset
- migration to new openforcefield namespace (now compatible with openff-toolkit 0.9.0 and higher)
- minor changes in metadata
For details, please see our documentation
Please report bugs, request features, or ask questions through our issue tracker.
Please note that there may still be some changes to the API prior to a stable 1.0.0 release.