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Reactions templates - #63

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kochern wants to merge 8 commits into

chython:masterfrom

kochern:reactions_templates

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 19, 2025

added sp2-X sp3-X XEC coupling
Kostiantyn Chernichenko
committed
0c72821
added Negishi, alipahtic C-N and C-O, aromitic C-O couplings
Kostiantyn Chernichenko
committed
fe45aa8

Commits on Nov 21, 2025

added Mitsunobu
Kostiantyn Chernichenko
committed
5dc7f51
added decarboxylative XEC
Kostiantyn Chernichenko
committed
02cb894

Commits on Nov 22, 2025

added triflates to suzuki, negishi, buchwald-hartwig and sp2-sp3-XEC (doi: 10.1021/jacs.4c14769)
Kostiantyn Chernichenko
committed
534dd88