Reaction fp - #62
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kochern wants to merge 11 commits into
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added 4 commits
November 18, 2025 11:51
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more or less finalized version of fps addition |
added 2 commits
December 2, 2025 12:03
…via new hashe generation. Reaction fp based on customized atom_identifies
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Finalized version of fp |
max_count_num renamed to max_count. cleanup.
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Added count fp for mols, added auto number of active bits to emulate the count fps in binary, and, evenntually, a diff_fingerprints for reactions