Add duplicate conformer algorithm (IRMSD) - #13

Merged

TroyNSmith merged 14 commits into

avcopan:mainfrom

TroyNSmith:main

Jul 17, 2026

Commits on Jul 10, 2026

[WIP]
TroyNSmith
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96d1f22

Commits on Jul 16, 2026

[WIP]
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778668b
[WIP]
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722b528
Update docs
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4469a31
Add conformer comparison from irmsd
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b7fcd5b

Commits on Jul 17, 2026

[WIP]
TroyNSmith
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bdc1ebd
Implement experimental features
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ae88d98
Add coordinates setting to rd/mol.py
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0e06ddc
Implement adjacency flood filling
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48dffcb
Implement flood fill in adjacency matrix
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b706cfd
Add IRMSD Identity
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32694f6
Re-organize tests
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e71c366
Update CHANGELOG
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Update CONTRIBUTING, CHANGELOG
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