genFF Public Release v1.0.3

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 updates h_p_vap.pdf to show the 95% confidence intervals on Pvap instead of standard deviations.

genFF Public Release v1.0.2

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).

genFF Public Release v1.0.1

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 init_optff_ms.py.

genFF Public Release

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