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refactor(charge): rework charge-state search and ranking Code quality checks #226: Commit 9f29bd9 pushed by choglass
28s feat/pydantic
feat/pydantic
28s
fix(charge): cap rdDetermineBonds so pathological species cannot hang Code quality checks #225: Commit b7ca772 pushed by choglass
40s feat/pydantic
feat/pydantic
40s
feat(charge): report a terminated valence search as skipped Code quality checks #224: Commit bd0d198 pushed by choglass
36s feat/pydantic
feat/pydantic
36s
feat(reference): flag species whose copies enumerate to different cha… Code quality checks #223: Commit f342e3b pushed by choglass
33s feat/pydantic
feat/pydantic
33s
chore: update binary fixture for Cells_YOXKUS Code quality checks #222: Commit 684661c pushed by choglass
33s feat/pydantic
feat/pydantic
33s
chore: update binary fixture for Cells_YOXKUS Code quality checks #221: Commit 0de75a1 pushed by choglass
28s feat/pydantic
feat/pydantic
28s
feat(metal): add test variant for relative metal radius calculation a… Code quality checks #220: Commit 283c965 pushed by choglass
33s feat/pydantic
feat/pydantic
33s
feat(metal_os): update comparison logic and logging for metal oxidati… Code quality checks #219: Commit 64e41c7 pushed by choglass
27s feat/pydantic
feat/pydantic
27s
refactor: comment out coordination report generation and cells saving Code quality checks #218: Commit bb0eecd pushed by choglass
31s feat/pydantic
feat/pydantic
31s
chore: update binary fixture for Cells_YOXKUS Code quality checks #217: Commit 50466d1 pushed by choglass
27s feat/pydantic
feat/pydantic
27s
style: fix trailing whitespace and apply ruff format Code quality checks #216: Commit ace3322 pushed by choglass
31s feat/pydantic
feat/pydantic
31s
feat(hydrogen): enhance missing hydrogens detection for fullerenes Code quality checks #215: Commit 07011c7 pushed by choglass
33s feat/pydantic
feat/pydantic
33s
remove App.ipynb Code quality checks #214: Commit 863e888 pushed by choglass
27s feat/pydantic
feat/pydantic
27s
chore: update binary fixture for Cells_YOXKUS Code quality checks #213: Commit 6c625bb pushed by choglass
30s feat/pydantic
feat/pydantic
30s
feat(.gitignore): add entries for virtual environment directories Code quality checks #212: Commit 64f4d1a pushed by choglass
30s feat/pydantic
feat/pydantic
30s
feat(.gitignore): add entries for virtual environment directories Code quality checks #211: Commit 3acabf9 pushed by choglass
30s feat/pydantic
feat/pydantic
30s
feat(protonation_enumerator): macrocycle/fullerene routing + symmetri… Code quality checks #210: Commit a6bd937 pushed by choglass
31s feat/pydantic
feat/pydantic
31s
Merge pull request #7 from lcmd-epfl/dev_update Python Package using Conda #553: Commit 4d48991 pushed by choglass
2m 7s v2
v2
2m 7s
Fix AttributeError in correct_smiles_ligand Python Package using Conda #552: Commit db395a5 pushed by choglass
2m 9s dev_update
dev_update
2m 9s
Python Package using Conda Python Package using Conda #551: by choglass
1m 28s v1.1.0
v1.1.0
1m 28s
Python Package using Conda Python Package using Conda #550: by choglass
30s 2.0.0-rc1
2.0.0-rc1
30s
Python Package using Conda Python Package using Conda #549: by choglass
1m 34s v1.0.0
v1.0.0
1m 34s
Feat/pydantic Code quality checks #209: Pull request #6 synchronize by choglass
30s feat/pydantic
feat/pydantic
30s
Feat/pydantic Code quality checks #208: Pull request #6 synchronize by choglass
2s feat/pydantic
feat/pydantic
2s
feat(charge_state_resolver): add closed-form charge builders for full… Code quality checks #207: Commit 0348b4c pushed by choglass
27s feat/pydantic
feat/pydantic
27s