pymser
Automatic equilibration detection for molecular simulations using the Marginal Standard Error Rule (MSER)
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Summary
Automatic equilibration detection for molecular simulations using the Marginal Standard Error Rule (MSER)
Last Updated
Jan 26, 2026 at 15:43
License
BSD-3-Clause
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0
GitHub Repository
https://https://github.com/IBM/pymserDocumentation
https://pubs.acs.org/doi/10.1021/acs.jctc.4c00417