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NVIDIA-BioNeMo / nvMolKit Public

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Fork 26
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In-warp substructure search for MCS - #243

#243

Closed

scal444 wants to merge 9 commits into

NVIDIA-BioNeMo:mainNVIDIA-BioNeMo/nvMolKit:mainfrom

scal444:mcs-split-05-substructurescal444/nvMolKit:mcs-split-05-substructureCopy head branch name to clipboard

Conversation Commits9 (9)Checks Files changed

Closed

In-warp substructure search for MCS#243
scal444 wants to merge 9 commits into
NVIDIA-BioNeMo:mainfrom
scal444:mcs-split-05-substructure

Commits

Commits on Jul 28, 2026

Add fMCS fast incremental matching
scal444
committed
Use project-rooted includes in fMCS matching
scal444
committed
Drop the topology-generality concept from fMCS matching
scal444
committed
Clarify greedy fMCS match contract
scal444
committed
Add fMCS full-substructure fallback matching
scal444
committed
Use project-rooted includes in fMCS substructure tests
scal444
committed
Drop the topology-generality concept from the substructure fallback
scal444
committed

Commits on Jul 31, 2026

Merge branch 'main' into mcs-split-05-substructure
scal444
committed
Formatting
scal444
committed

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