v0.9.0

What's Changed

• mol2any: add mol2bool element by @JochenSiegWork in #59
• github: add package source dir to coverage by @JochenSiegWork in #65
• Init refactoring by @frederik-sandfort1 in #70
• 63 include custom filter in experimental by @frederik-sandfort1 in #64
• 72 make chemprop multiclass classification model by @JenniferHem in #73
• 68 makescaffoldgeneric set all carbons to wild card symbols to allow a substrcutre search by @c-w-feldmann in #69
• Error handling sanitize bug by @frederik-sandfort1 in #85
• Inchitomol by @frederik-sandfort1 in #86
• Add --check-only flag to isort by @c-w-feldmann in #88
• docu: update readme, add image, add feature calc notebook by @JochenSiegWork in #90
• add pylint.rc by @c-w-feldmann in #92
• mol2morgan_fingerprint: remove deprecated fp function by @JochenSiegWork in #83
• 81 postpredictionwrapper handle set params without wrapped estimator by @c-w-feldmann in #82
• mol2morgan_fingerprint: fix bug of mismatched indices after folding by @JochenSiegWork in #93
• Add functionality to compare pipelines by @c-w-feldmann in #95
• readme: add link to neural fp paper + make icon smaller by @JochenSiegWork in #97
• Filter update by @frederik-sandfort1 in #67

New Contributors

• @frederik-sandfort1 made their first contribution in #70

Full Changelog: v0.8.6...v0.9.0