update to uncertainty metrics, fix for stability check - Githubissues

zincware / IPSuite

Machine Learned Interatomic Potential Tools

https://ipsuite.readthedocs.io

Eclipse Public License 2.0

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update to uncertainty metrics, fix for stability check #304

Closed M-R-Schaefer closed 3 months ago

M-R-Schaefer commented 5 months ago

get calibration metrics via uncertainty toolbox
update UQ plots to be more like 10.1088/2632-2153/ad594a
fix MDStability node and connectivity check
remove pearsonR from UQ metrics