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chore: update CITATION.cff
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chore: update author affiliation in CITATION.cff
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chore: fix stale references
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chore: fix stale references
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chore: fix build
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chore: fix project name
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chore: fix project name
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Merge pull request #4 from kren-ai-lab/dev
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fix: correct hydrogen donors, and centralize constants
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chore: fix linting
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chore: update pyproject
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chore: show github installation in readme
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feat: improve docstrings
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