2020-08-20 Force Field Release meeting notes
Date
Aug 20, 2020
Participants
@Hyesu Jang
@David Mobley
@Christopher Bayly
@Michael Gilson
@Lee-Ping Wang
@Simon Boothroyd
@Owen Madin
@Trevor Gokey
@Jessica Maat (Deactivated)
Goals
Discussion on paper figures
Discussion topics
Item | Notes |
|---|---|
discussion on adding new test set result to parsley paper | MG - 1. test set results should be parallel to the training set results. 2. For physical properties part, numbers on the scatter plots better to be gathered into a table. 3. Figure5 could be switched to histogram. CIB - global measures are needed. Quantify the improvement into a table. ((1) how bond length rmsd improved overall (2) how many bonds got better, …) MG- new bar plot for “rmse comparison for bonds” is needed. Owen and Lee-Ping suggested gray dot with green or red arrow. |