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Reaction fp - #62

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kochern wants to merge 11 commits into

chython:masterfrom

kochern:reaction_fp

Commits on Nov 18, 2025

added automatic number of bits to emulate count fps for binary format
Kostiantyn Chernichenko
committed
4305a35
added morgan_count_fingerprint
Kostiantyn Chernichenko
committed
5e5844f
added reaction difference fingerprint
Kostiantyn Chernichenko
committed
2827eb4

Commits on Nov 24, 2025

Corrected how the binary fps are calculated. Added concatenation of reactants and products diff fps
Kostiantyn Chernichenko
committed
483dd00

Commits on Dec 2, 2025

implementation of count fps via hash shift
Kostiantyn Chernichenko
committed
b767209

Commits on Dec 11, 2025

A finalized version of fingerprints. fragment counts are implemented via new hashe generation. Reaction fp based on customized atom_identifies
Kostiantyn Chernichenko
committed
55effbb

Commits on Jan 30, 2026

Merge branch 'master' into fork/kochern/reaction_fp
stsouko
committed
70f7846
backward compatibility added.
stsouko
committed
a32e84a

Commits on Mar 7, 2026

margan counter reimplemented
stsouko
committed
9ca5f57
test update
stsouko
committed
7647208
diff fp refactored
stsouko
committed
6d4da30