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NVIDIA-BioNeMo / nvMolKit Public

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Use multiprocessing in ETKDG benchmark validation#190

Open

scal444 wants to merge 2 commits into

NVIDIA-BioNeMo:mainNVIDIA-BioNeMo/nvMolKit:mainfrom

scal444:split/etkdg-parallel-energyscal444/nvMolKit:split/etkdg-parallel-energyCopy head branch name to clipboard

Conversation Commits2 (2)Checks Files changed

Open

Use multiprocessing in ETKDG benchmark validation#190
scal444 wants to merge 2 commits into
NVIDIA-BioNeMo:mainfrom
scal444:split/etkdg-parallel-energy

Commits

Commits on May 29, 2026

etkdg: parallelize MMFF energy validation across mols
scal444
committed
etkdg: trim energy-worker docstring
scal444
committed

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