rdkitpyr

rdkitpyr 0.2.1

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

• The initial release.