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OpenFreeEnergy / openfe Public

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Speed up HTF creation#1858

Open

jthorton wants to merge 8 commits intomainOpenFreeEnergy/openfe:mainfrom

htf_speedOpenFreeEnergy/openfe:htf_speedCopy head branch name to clipboard

Conversation Commits8 (8)Checks Files changed

Open

Speed up HTF creation#1858
jthorton wants to merge 8 commits intomainfrom
htf_speed

Commits

Commits on Feb 25, 2026

speed up torsions and nonbonded htf force creation
jthorton
committed
remove time calls
jthorton
committed

Commits on Feb 26, 2026

Merge branch 'main' into htf_speed
jthorton
authored
sort the exception key for storing and lookups
jthorton
committed
Merge remote-tracking branch 'origin/htf_speed' into htf_speed
jthorton
committed
remove unused code, clean up function
jthorton
committed
remove force lookups by looping and use hashing
jthorton
committed

Commits on Mar 10, 2026

Merge branch 'main' into htf_speed
atravitz
authored

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