Open Free Energy
Published November 14, 2025 | Version v1
Dataset Open

OpenFE RBFE benchmarks of OpenFF 3.0.0alpha0

Authors/Creators

  • 1. Open Free Energy, The Open Molecular Software Foundation

Description

Initial benchmarks of the 3.0.0alpha0 OpenFF force field, using pontibus (https://github.com/OpenFreeEnergy/pontibus).

Files

3.0.0a0_rbfe_benchmarks.zip

Files (35.4 MB)

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