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12 workflow runs

12 workflow runs

chore: add pillow dependency at version 12.2.0 and update lock file Semantic Release #12: Commit 860b1e7 pushed by WolfgangWenzel

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fix: pin rdkit dependency to version 2024.3.2 in pyproject.toml Semantic Release #11: Commit 63f9146 pushed by WolfgangWenzel

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feat!: pin simstack to simstack/main and Semantic Release #10: Commit b685352 pushed by WolfgangWenzel

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feat: add RDKit-based optimization utilities and integrate with modul… Semantic Release #9: Commit 19f8104 pushed by WolfgangWenzel

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refactor: update conformers_rdkit_from_smiles to use StringData f… Semantic Release #8: Commit ce3771c pushed by WolfgangWenzel

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refactor: update OpenBabel conformer generation to enhance type safet… Semantic Release #7: Commit c1863de pushed by WolfgangWenzel

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fix: add CLI entry-point for molecular_qm_util in pyproject.toml Semantic Release #6: Commit 9c4ac22 pushed by WolfgangWenzel

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refactor: add __init__.py imports and module exports for improved c… Semantic Release #5: Commit e29db3b pushed by WolfgangWenzel

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refactor: update pytest fixtures and configuration in pyproject.toml Semantic Release #4: Commit 5bc428b pushed by WolfgangWenzel

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feat: add OpenBabel and RDKit conformer generation workflows, tests, … Semantic Release #3: Commit 36182b1 pushed by WolfgangWenzel

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feat!: modularize imports and dependencies, add pytest fixtures, and … Semantic Release #2: Commit cc10cbb pushed by WolfgangWenzel

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Release: Remove deprecated and redundant scripts; refactor molecule h… Semantic Release #1: Commit df2ba82 pushed by WolfgangWenzel

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