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Add OFF 2.0.0 RBFE summary#8

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badisa merged 1 commit into
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summary/off_2_0_0_comp
Dec 28, 2025
Merged

Add OFF 2.0.0 RBFE summary#8
badisa merged 1 commit into
mainfrom
summary/off_2_0_0_comp

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@badisa

@badisa badisa commented Dec 28, 2025

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  • Open Forcefield 2.0.0 seems to perform better than 2.2.1. SYK had some clear bottlenecks when using OFF 2.2.1. Could be a case of over fitting the alchemical schedule to OFF 2.0.0, but needs further investigation.

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badisa merged commit c9f02c1 into main Dec 28, 2025
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badisa deleted the summary/off_2_0_0_comp branch April 28, 2026 17:22
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