NEWS
rdkitpyr 0.2.1 (2026-03-05)
New features
- Added support for MACCS, RDKit, and Morgan fingerprint calculations.
- Added bulk descriptor calculation, along with individual calculations for
average molecular weight and exact mass.
- Added a
verbose argument to control warning and error messages emitted by
the RDKit backend (Mikhail Khrisanfov).
Internal changes
- Imported internal Python functions as a module.
- Refactored and enhanced Python I/O for molecule handling (Mikhail Khrisanfov).
rdkitpyr 0.1.0