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Commits on Dec 12, 2025

• add `# References` (#101)

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Commits on Dec 9, 2025

• Editorial Comments (#98)

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Commits on Dec 3, 2025

• add CITATION.cff (#96)

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• JOSS manuscript (#48)

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• [pre-commit.ci] pre-commit autoupdate (#94)

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• Bump version from 0.2.1 to 0.2.2 (#95)

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Commits on Nov 26, 2025

• [pre-commit.ci] pre-commit autoupdate (#88)

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• update docs (#92)

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• Add DeepWiki badge to README (#91)

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Commits on Nov 25, 2025

• Add tests for graph modification workflow (ASE → networkx → modify → ASE/rdkit) (#90)

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Commits on Nov 17, 2025

• use packmol from PyPI (#87)

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• Update README links for molify project (#86)

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Commits on Nov 15, 2025

• release preperation (#85)

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• [pre-commit.ci] pre-commit autoupdate (#76)

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• update documentation (#80)

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Commits on Oct 23, 2025

• rename `rdkit2ase` to `molify` (#79)

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• fix: automatically handle None bond orders in ase2rdkit (#77)

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Commits on Sep 9, 2025

• improve `pack` (#75)

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• improve julia / packmol detection (#74)

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• update README to include all requried import statemtns (#70)

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• [pre-commit.ci] pre-commit autoupdate (#66)

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Commits on Aug 18, 2025

• Update README.md (#67)

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Commits on Aug 11, 2025

• ensure select atoms grouped is in order (#65)

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Commits on Aug 9, 2025

• Add advanced atom selection and visualization functions (#63)

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Commits on Aug 5, 2025

• [pre-commit.ci] pre-commit autoupdate (#51)

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Commits on Jul 21, 2025

• add selection example for boxes (#60)

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• Generics in connectivity (#58)

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• get_center_of_mass (#56)

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Commits on Jul 16, 2025

• v0.2.11 (#55)

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Commits on Jul 14, 2025

• add vesin and `pbc` flag (#53)

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Commits on Jul 7, 2025

• Add test for partial suggestions (#52)

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Commits on Jun 26, 2025

• Improve bond guess (#50)

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Commits on Jun 24, 2025

• [pre-commit.ci] pre-commit autoupdate (#41)

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Commits on Jun 23, 2025

• documentation update (#47)

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• Docs (#45)

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