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Integration of CDK ExhaustiveFragmenter #133
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Commits on Oct 7, 2024
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Commits on Oct 12, 2024
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work in progress: first rudimentary implementation of the exhaustive …
…fragmentation utility of the CDK, as a fragmentation option
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Commits on Oct 13, 2024
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work in progress: added hydrogen saturation and corrected the setting…
… of the minimal fragment size of the exhaustive fragmenter
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Commits on Oct 15, 2024
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work in progress: functional implementation, except the saturation, o…
…f the exhaustive fragmentation and added the respective test class
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work in progress: fixed formatting error and modified fragmentation d…
…ue to automatic saturation
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Commits on Oct 22, 2024
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Commits on Oct 28, 2024
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Commits on Nov 4, 2024
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applied requested fixes and added some further documentation to the e…
…xhaustive fragmenter class
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Commits on Nov 7, 2024
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