Presentation Open Access

Follow-up workshop on Benchmarking

Lorenzo D'Amore; David Hahn

Based on polling at the OpenFF annual workshop in May 2021, audience members were interested in attending a dedicated session about benchmarking efforts. This session was held on September 1, 2021. Roughly the first hour is a presentation, and the second hour focuses on an interactive jupyter notebook [1] analyzing some selected outputs from the larger benchmarking effort[2].

 

[1] https://github.com/openforcefield/2021-benchmarking-workshop/tree/2021.08.31.0

[2] https://github.com/openforcefield/openff-benchmark/tree/2021.08.04.0

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