v2.2.0
2.2.0 (2024-03-25)
Features
- add Molecular formula (40e66f3)
- add tests helpers (e40ee25)
- enhanced coconut preprocessing (e48b015)
- enhanced coconut preprocessing (245a7d5)
- include jvm tests (911c714)
- include True,False options (c13fba5)
Bug Fixes
- add Molecular formula (c3e6a5f)
- COCONUT preprocessing examples (b2fdba0)
- code cleanup (3820cb2)
- descriptors (9feb1b5)
- encoding issues (32753f2)
- encoding issues (093665b)
- include bitset length in CDK, bugfix rdkit #468 (725f779)
- linting (d76a213)
- linting (db2e173)
- molecule volume rdkit (321feec)
- preprocessing test (c48cd37)
- remove dubugging lines (11ea923)
- remove mock tests test_functions.py (a50068b)
- SMILES parse error handling (3ba35b5)
- test functions (930274f)
- test_functions (148734b)