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112 workflow runs

112 workflow runs

Release v0.9.7: Add GROMACS trajectory support and enhance OpenFF int… CI #77: Commit 2f2e22c pushed by ForblazeProject

5m 5s v0.9.7

v0.9.7

5m 5s

Release v0.9.7: Add GROMACS trajectory support and enhance OpenFF int… Publish to PyPI and GitHub Release #35: Commit 2f2e22c pushed by ForblazeProject

3m 55s v0.9.7

v0.9.7

3m 55s

Release v0.9.7: Add GROMACS trajectory support and enhance OpenFF int… CI #76: Commit 2f2e22c pushed by ForblazeProject

6m 10s main

main

6m 10s

fix: comprehensive ion support in SMILES parser and RDKit bridge (sup… CI #75: Commit a58f8d6 pushed by ForblazeProject

4m 3s main

main

4m 3s

fix: resolve RDKit AtomValenceException for anions by skipping SANITI… CI #74: Commit 0bd0137 pushed by ForblazeProject

3m 32s main

main

3m 32s

docs: update README requirements and features list CI #73: Commit 086a973 pushed by ForblazeProject

3m 16s main

main

3m 16s

ci: fix github-release token and dependencies CI #72: Commit 42bf768 pushed by ForblazeProject

3m 2s v0.9.6

v0.9.6

3m 2s

ci: fix github-release token and dependencies Publish to PyPI and GitHub Release #34: Commit 42bf768 pushed by ForblazeProject

2m 20s v0.9.6

v0.9.6

2m 20s

ci: fix github-release token and dependencies CI #71: Commit 42bf768 pushed by ForblazeProject

3m 22s main

main

3m 22s

v0.9.6: Integrate gasteiger-rs for automatic partial charge assignmen… Publish to PyPI and GitHub Release #33: Commit b93ba4f pushed by ForblazeProject

3m 26s v0.9.6

v0.9.6

3m 26s

v0.9.6: Integrate gasteiger-rs for automatic partial charge assignmen… CI #70: Commit b93ba4f pushed by ForblazeProject

5m 18s v0.9.6

v0.9.6

5m 18s

v0.9.6: Integrate gasteiger-rs for automatic partial charge assignmen… CI #69: Commit b93ba4f pushed by ForblazeProject

2m 28s main

main

2m 28s

feat: include sample_recipe.yaml in CLI distribution Publish to PyPI and GitHub Release #32: Commit fd6b023 pushed by ForblazeProject

2m 54s v0.9.5

v0.9.5

2m 54s

feat: include sample_recipe.yaml in CLI distribution CI #68: Commit fd6b023 pushed by ForblazeProject

3m 18s main

main

3m 18s

feat: include sample_recipe.yaml in CLI distribution CI #67: Commit fd6b023 pushed by ForblazeProject

5m 5s v0.9.5

v0.9.5

5m 5s

feat: include sample_recipe.yaml in CLI distribution Publish to PyPI and GitHub Release #31: Commit 774e1d9 pushed by ForblazeProject

3m 10s v0.9.5

v0.9.5

3m 10s

feat: include sample_recipe.yaml in CLI distribution CI #66: Commit 774e1d9 pushed by ForblazeProject

4m 8s main

main

4m 8s

feat: include sample_recipe.yaml in CLI distribution CI #65: Commit 774e1d9 pushed by ForblazeProject

4m 0s v0.9.5

v0.9.5

4m 0s

release: v0.9.4 - Add polymer tacticity control and Molecule.from_pol… CI #64: Commit 385f05d pushed by ForblazeProject

3m 15s main

main

3m 15s

release: v0.9.4 - Add polymer tacticity control and Molecule.from_pol… CI #63: Commit 385f05d pushed by ForblazeProject

4m 27s v0.9.4

v0.9.4

4m 27s

release: v0.9.4 - Add polymer tacticity control and Molecule.from_pol… Publish to PyPI and GitHub Release #30: Commit 385f05d pushed by ForblazeProject

3m 10s v0.9.4

v0.9.4

3m 10s

release: v0.9.3 - Final release with all CLI fixes, ion support, and … Publish to PyPI and GitHub Release #29: Commit 160999b pushed by ForblazeProject

3m 19s v0.9.3

v0.9.3

3m 19s

release: v0.9.3 - Final release with all CLI fixes, ion support, and … CI #62: Commit 160999b pushed by ForblazeProject

3m 58s v0.9.3

v0.9.3

3m 58s

release: v0.9.3 - Final release with all CLI fixes, ion support, and … CI #61: Commit 160999b pushed by ForblazeProject

3m 21s main

main

3m 21s

release: v0.9.2 - Implement CLI template/SMILES support, ion parsing,… CI #60: Commit fe29aa8 pushed by ForblazeProject

3m 31s main

main

3m 31s