Release 3.9.1

3.9.1 (2026-02-12)

Bug Fixes

• rule special cases and multi-radius definition (50b6539)

Release 3.9.0

3.9.0 (2026-02-06)

Features

• updated RetroPath workflow r20260206 (2e054c6)

Release 3.8.1

3.8.1 (2026-02-02)

Bug Fixes

• new release of RP2 fixing top-k node failures (a67c410)

Release 3.8.0

3.8.0 (2026-01-28)

Features

• update last retropath2 wf version to rr20260128 (f33dfe5)

Bug Fixes

• RetroPath2: sniff extension from file content and set tsv / csv ext (9e0d65d)

Release 3.7.0

3.7.0 (2026-01-20)

Features

• add new argument 'score_mode' (33d5af6)
• new version of rp2 enabling use of retrorules 2026 release (552c5df)
• update to r202601189 the default rp2 version to be used (0ea3950)

Release 3.6.1

3.6.1 (2025-12-10)

Bug Fixes

• knime.py: add missing repos (76e2f5e)
• knime.py: import unzip (3c49ac8)

Build Systems

• environment.yaml: update brs-utils min version (e73e70e)

Release 3.6.0

3.6.0 (2025-10-21)

Features

• knime: allow online and local install from Zenodo (525571d)
• knime: raise error if installation is failed, install Knime online in the code (be2de7c)

Bug Fixes

• knime: mv logger arg to another function (d6aa106)
• knime: trigger self.kexec of Knime (5b0943a)

Release 3.5.0

3.5.0 (2025-10-08)

Features

• knime: download from zenodo and install (a649cac)

Bug Fixes

• main.py: corrects elif statement (e57c066)
• knime: add more plugins to install for Knime (a4c9dcb)
• knime: install plugins, paths of the root Knime and p2 dir (3b59095)
• knime: undef var (2325832)

Code Refactoring

• main.py: handles args.std_hydrogen != auto (935263b)

Continuous Integration

• tag.yml: stops testing conda-build with custom cicd (6e28327)
• test.yml: uses environment-dev.yaml to update test env before testing (9d5c3f2)

Tests

• environment-dev.yaml: adds env specification for test-only libraries (d16491c)

Build Systems

• adds conda env file for macos-arm64 (d6e1616)
• upgrades GitHub actions to latest versions (3e79b1a)
• environment-macos_arm64.yaml: renames mac specific env (b7ec378)

Documentation

• main.py: refines type hints (49a33c1)
• knime: update for Knime installation (6a78c6a)

Release 3.4.2

3.4.2 (2025-09-29)

Bug Fixes

• Knime Subprocess (#22) (a849841)

Release 3.4.1

3.4.1 (2025-09-23)

Bug Fixes

• RetroPath2: check for explicit hydrogens instead of implicits (a8e8dc4)