commits

SHA	Message	Author	Date
d9948aa1	doc(CHANGELOG): update	breakthewall <j**n@u**r>	6 months ago
50b6539d	fix: rule special cases and multi-radius definition	Thomas Duigou <t**u@i**r>	6 months ago
dff98319	doc(CHANGELOG): update	breakthewall <j**n@u**r>	6 months ago
2e054c62	feat: updated RetroPath workflow r20260206	Thomas Duigou <t**u@i**r>	6 months ago
48228702	doc(CHANGELOG): update	breakthewall <j**n@u**r>	7 months ago
a67c4105	fix: new release of RP2 fixing top-k node failures	Thomas Duigou <t**u@i**r>	7 months ago
98db45af	doc(CHANGELOG): update	breakthewall <j**n@u**r>	7 months ago
9e0d65d4	fix(RetroPath2): sniff extension from file content and set tsv / csv ext	Thomas Duigou <t**u@i**r>	7 months ago
f33dfe50	feat: update last retropath2 wf version to rr20260128	Thomas Duigou <t**u@i**r>	7 months ago
8e35ca69	doc(CHANGELOG): update	breakthewall <j**n@u**r>	7 months ago
eab4eaa1	merge Merge pull request #27 from brsynth/feat-retrorules	GuillaumeG <g**i@gm> Committed by: GitHub <ny@g**m>	7 months ago
33d5af67	feat: add new argument 'score_mode'	Thomas Duigou <t**u@i**r>	7 months ago
0ea39501	feat: update to r202601189 the default rp2 version to be used	Thomas Duigou <t**u@i**r>	7 months ago
552c5df5	feat: new version of rp2 enabling use of retrorules 2026 release	Thomas Duigou <t**u@i**r>	7 months ago
4d33db15	chore(RetroPath2.py): explicit module in imports	Joan Hérisson <j**n@u**r>	8 months ago
3378eab1	chore(__main__.py): add module for imports to avoid runtim warning	Joan Hérisson <j**n@u**r>	8 months ago
a624f6fc	doc(CHANGELOG): update	breakthewall <j**n@u**r>	8 months ago
3c49ac88	fix(knime.py): import unzip	Joan Hérisson <j**n@ur> Committed by: Thomas Duigou <tu@i**r>	8 months ago
e73e70e4	build(environment.yaml): update brs-utils min version	Joan Hérisson <j**n@ur> Committed by: Thomas Duigou <tu@i**r>	8 months ago
b8072636	chore(knime.py): rm 'unzip' patch (fixed)	Joan Hérisson <j**n@ur> Committed by: Thomas Duigou <tu@i**r>	8 months ago
76e2f5e0	fix(knime.py): add missing repos	Joan Hérisson <j**n@ur> Committed by: Thomas Duigou <tu@i**r>	8 months ago
906c262c	chore(knime.py): download only for the running platform	Joan Hérisson <j**n@ur> Committed by: Thomas Duigou <tu@i**r>	8 months ago
321d1d7f	doc(CHANGELOG): update	breakthewall <j**n@u**r>	10 months ago
5b0943ae	fix(knime): trigger self.kexec of Knime	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	10 months ago
d6aa106b	fix(knime): mv logger arg to another function	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	10 months ago
be2de7cf	feat(knime): raise error if installation is failed, install Knime online in t...	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	10 months ago
525571de	feat(knime): allow online and local install from Zenodo	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	10 months ago
ba489dd7	doc(CHANGELOG): update	breakthewall <j**n@u**r>	10 months ago
6e283274	ci(tag.yml): stops testing conda-build with custom cicd	Thomas Duigou <t**u@i**r>	10 months ago
e57c0660	fix(__main__.py): corrects elif statement	Thomas Duigou <t**u@i**r>	10 months ago
935263b3	refactor(__main__.py): handles `args.std_hydrogen != auto`	Thomas Duigou <t**u@i**r>	10 months ago
49a33c1a	docs(__main__.py): refines type hints	Thomas Duigou <t**u@i**r>	10 months ago
9d5c3f2f	ci(test.yml): uses `environment-dev.yaml` to update test env before testing	Thomas Duigou <t**u@i**r>	10 months ago
b7ec3780	build(environment-macos_arm64.yaml): renames mac specific env	Thomas Duigou <t**u@i**r>	10 months ago
d16491ca	test(environment-dev.yaml): adds env specification for test-only libraries	Thomas Duigou <t**u@i**r>	10 months ago
3e79b1ac	build: upgrades GitHub actions to latest versions	Thomas Duigou <t**u@ir> Committed by: GitHub <ny@g**m>	10 months ago
3b590953	fix(knime): install plugins, paths of the root Knime and p2 dir	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	11 months ago
d6e1616d	build: adds conda env file for macos-arm64	Thomas Duigou <t**u@i**r>	11 months ago
a4c9dcbc	fix(knime): add more plugins to install for Knime	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	11 months ago
2325832e	fix(knime): undef var	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	11 months ago
49132780	tests(knime): update to fit the features	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	11 months ago
6a78c6ab	docs(knime): update for Knime installation	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	11 months ago
a649cacc	feat(knime): download from zenodo and install	guillaume-gricourt <g**i@gm> Committed by: Thomas Duigou <tu@i**r>	11 months ago
19e94cb2	doc(CHANGELOG): update	breakthewall <j**n@u**r>	11 months ago
a8498415	fix: Knime Subprocess (#22)	GuillaumeG <g**i@gm> Committed by: GitHub <ny@g**m>	11 months ago
ddf68baa	doc(CHANGELOG): update	breakthewall <j**n@u**r>	11 months ago
a969608f	merge Merge pull request #21 from brsynth/fix-hydrogens	Thomas Duigou <t**u@ir> Committed by: GitHub <ny@g**m>	11 months ago
a8e8dc45	fix(RetroPath2): check for explicit hydrogens instead of implicits	guillaume-gricourt <g**i@g**m>	11 months ago
e50b69d7	doc(CHANGELOG): update	breakthewall <j**n@u**r>	12 months ago
43d86afc	merge merge: pull request #20 from brsynth/feat-r20250728	Thomas Duigou <t**u@ir> Committed by: GitHub <ny@g**m>	12 months ago
17e7cfa7	feat: add explicit/implicit hydrogens	guillaume-gricourt <g**i@g**m>	12 months ago
c4dd24a4	feat(workflow): add `r20250728.knwf`	guillaume-gricourt <g**i@g**m>	12 months ago
6b35603b	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 1 year ago
4b3743b1	fix(knime.py): fix __instal_exec() call	Joan Hérisson <j**n@u**r>	over 1 year ago
3cae6eca	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 1 year ago
929841bc	trigger	Joan Hérisson <j**n@u**r>	over 1 year ago
5ed0e275	buid(tag): update upload-artifact version	Joan Hérisson <j**n@u**r>	over 1 year ago
07425843	merge Merge pull request #19 from brsynth/dependabot/github_actions/dot-github/work...	Joan Hérisson <j**n@ur> Committed by: GitHub <ny@g**m>	over 1 year ago
335d2a2f	feat: add --quiet option to disable error codes	Joan Hérisson <j**n@u**r>	over 1 year ago
816b90b5	build(deps): bump actions/download-artifact in /.github/workflows Signed-off-by: dependabot[bot] <s**t@g**m>	dependabot[bot] <4**]@um> Committed by: GitHub <ny@g**m>	almost 2 years ago
6c0059e9	doc(CHANGELOG): update	breakthewall <j**n@u**r>	about 2 years ago
0dbba0cb	feat: add '--no-network' option	Joan Hérisson <j**n@u**r>	about 2 years ago
14248b38	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 2 years ago
0c58b6d9	trigger	Joan Hérisson <j**n@u**r>	over 2 years ago
18bbf805	build(environment.yaml): fix brs_utils bound version	Joan Hérisson <j**n@u**r>	over 2 years ago
bda32024	merge Merge branch 'master' of github.com:brsynth/RetroPath2-wrapper	Joan Hérisson <j**n@u**r>	over 2 years ago
6bd11f4e	fix(knime.py): plugins_to_install from KPlugins -> str	Joan Hérisson <j**n@u**r>	over 2 years ago
21392016	build(environment.yaml): update dep bound	Joan Hérisson <j**n@u**r>	over 2 years ago
86a6c0ec	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 2 years ago
c20e2a53	tests: fix imports	Joan Hérisson <j**n@u**r>	over 2 years ago
88070982	feat: add --kplugins option to handle KNIME plugins	Joan Hérisson <j**n@u**r>	over 2 years ago
85c11e5d	build(environment.yaml): update bound version	Joan Hérisson <j**n@u**r>	over 2 years ago
a02fe616	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 3 years ago
d6566fb7	chore: add error handler	Joan Hérisson <j**n@u**r>	over 3 years ago
378a2493	doc(knime.py): add debug info	Joan Hérisson <j**n@u**r>	over 3 years ago
ac30bf34	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 3 years ago
79bd726a	chore(build): rm windows	Joan Hérisson <j**n@u**r>	over 3 years ago
3529777c	chore(build): rm windows	Joan Hérisson <j**n@u**r>	over 3 years ago
cc1ee592	fix(build): pkg arch	Joan Hérisson <j**n@u**r>	over 3 years ago
20890231	chore(build): change nss pkg	Joan Hérisson <j**n@u**r>	over 3 years ago
be2667f5	chore(build): put back macos	Joan Hérisson <j**n@u**r>	over 3 years ago
7da7c9b4	fix(build): rm macos since pkgs do not exist	Joan Hérisson <j**n@u**r>	over 3 years ago
c46a8977	trigger	Joan Hérisson <j**n@u**r>	over 3 years ago
8ef38db9	fix(build): typo	Joan Hérisson <j**n@u**r>	over 3 years ago
3b503be3	chore(build): add missing pkgs	Joan Hérisson <j**n@u**r>	over 3 years ago
f3b182bc	fix(knime.py): add lib path	Joan Hérisson <j**n@u**r>	over 3 years ago
bfdd7e6a	merge Merge pull request #17 from brsynth/refactor-arguments	Joan Hérisson <j**n@ur> Committed by: GitHub <ny@g**m>	over 3 years ago
d40f193a	fix(retropath2_wrapper): resolve historic modifications	Guillaume Gricourt <g**i@g**m>	over 3 years ago
f77d9d0f	merge Merge branch 'master' into refactor-arguments	GuillaumeG <g**i@gm> Committed by: GitHub <ny@g**m>	over 3 years ago
a18ba0b0	feat(retropath2_wrapper): remove `--kpkg-install`, `--kzenodo` arguments	Guillaume Gricourt <g**i@g**m>	over 3 years ago
19f4d3a7	feat: add KNIME python and rdkit versions	Joan Hérisson <j**n@u**r>	over 3 years ago
41f2a20b	fix: add version for kpython + krdkit	Joan Hérisson <j**n@u**r>	over 3 years ago
4c0fedad	chore: mv DEFAUTS to a dict	Joan Hérisson <j**n@u**r>	over 3 years ago
ef994bb7	doc(CHANGELOG): update	breakthewall <j**n@u**r>	over 3 years ago
5c6af2ab	merge Merge branch 'master' into stable	guillaume-gricourt <g**i@g**m>	over 3 years ago
6fb96d16	merge Merge pull request #16 from brsynth/feat-dwl-zenodo	Joan Hérisson <j**n@ur> Committed by: GitHub <ny@g**m>	over 3 years ago
e49a455b	chore(github): update test workflow	Guillaume Gricourt <g**i@g**m>	over 3 years ago
d9abae9d	docs(retropath2_wrapper): update test section & link to zenodo repositories	Guillaume Gricourt <g**i@g**m>	over 3 years ago
74095126	fix(retropath2_wrapper): logic to install exec and package	Guillaume Gricourt <g**i@g**m>	over 3 years ago
e80405f4	feat(retropath2_wrapper): download from Zenodo v4.7.0	Guillaume Gricourt <g**i@g**m>	over 3 years ago

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