New
2025_09_3 (Q3 2025) Release
Release_2025.09.3
(Changes relative to Release_2025.09.2)
Acknowledgements
(Note: I'm no longer attempting to manually curate names. If you would like to see your contribution acknowledged with your name, please set your name in GitHub)
David Cosgrove, Andrew Dirksen, Justin Gullingsrud, Tad Hurst, Brian Kelley, Phong Lam, Niels Maeder, Dan Nealschneider, Patrick Penner, Rachael Pirie, Max Rietmann, Ricardo Rodriguez, Anton Siomchen, Rachel Walker, dehaenw, paconius,
New Features and Enhancements:
- Incremental synthon search (github pull #8855 from jgullingsrud)
- [CONTRIB]: Freewilson now keeps the coordinates passed in (github pull #8868 from bp-kelley)
- add more benchmarking (github pull #8878 from bddap)
- added new attributes for scsr template as per BIOVIA doc 2023 (github pull #8911 from tadhurst-cdd)
- Allow using generators for similarity maps (github pull #8912 from greglandrum)
- Return original molecule from StereoisomerEnumerator when no unspecified stereocenters are available (github pull #8924 from phonglam3103)
- Add function to compute shape scores without overlay. (github pull #8950 from DavidACosgrove)