0.3.7

What's Changed

• Allow Python 3.14 by @BioGeek in #16

New Contributors

• @BioGeek made their first contribution in #16

Full Changelog: 0.3.6...0.3.7

0.3.6

Changes:

• include new fingerprint conversion using "frequency-folding"
• update to new scikit-fingerprints release
• expand docstrings and tests

0.3.5

• remove regex SMILES check (was too strict)

0.3.4

• minor updates to plotting functions (legend setting)
• minor linting and fixes

0.3.3

What's Changed

• Add registry dataloader by @julianpollmann in #12
• Add cleveland plot and progress bars by @florian-huber in #13

Full Changelog: 0.3.2...0.3.3

0.3.2

• fix bug with umap computations
• some code cleaning

Full Changelog: 0.3.1...0.3.2

0.3.1

What's Changed

• add fingerprints (map4 and lingo) by @florian-huber in #10

Full Changelog: 0.3.0...0.3.1

0.3.0

What's Changed

• Add code for Umap plots by @florian-huber in #7
• Update ci by @julianpollmann in #8
• Add some benchmarking code by @florian-huber in #9

Full Changelog: 0.2.1...0.3.0

0.2.1

chemap 0.2.1

• more unit tests
• minor function refactoring

Full Changelog: 0.2.0...0.2.1

0.2.0

chemap 0.2.0

• Second refactored basic version
• Added fingerprint computation parallelization
• added score refactoring
• added fingerprint conversions to csr and tfidf as well as folded after tfidf