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genFF Public Release v1.0.2

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@Montana-Carlozo Montana-Carlozo released this 12 Jan 02:04
· 1 commit to master since this release
61fea8b

This repository contains all of the data and software necessary to reproduce the results in the manuscript "Development of Accurate Transferable Hydrocarbon Refrigerant Force Fields Using a Machine Learning and Optimization Approach

This version fixes a bug in analyze_ms.py. 95% confidence intervals are now plotted instead of standard deviations for log(Pvap).