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Issues: materialsvirtuallab/megnet

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Issues list

Early stopping only works when save_checkpoint set True
#189 opened Nov 19, 2020 by Nokimann updated Nov 19, 2020
Getting atomistic forces
#170 opened Sep 21, 2020 by jstoppelman updated Dec 8, 2020
Train the model for customised train-test split
#281 opened Aug 28, 2021 by kdmsit updated Sep 8, 2021
copy layers error?
#286 opened Sep 15, 2021 by tony-dd updated Sep 16, 2021
Might be nice to see MEGNet on matbench
#333 opened Jan 22, 2022 by sgbaird updated Jan 25, 2022
unlockNN module for uncertainty quantification of MEGNet
#338 opened Jan 31, 2022 by sgbaird updated Feb 11, 2022
Multi-output Regression
#313 opened Dec 11, 2021 by Pravanop updated Feb 22, 2022
Problem with load molecule data from ase
#354 opened Mar 31, 2022 by dimka11 updated Apr 4, 2022
Impossible to do classification training (ValueError)
#276 opened Aug 15, 2021 by LuciusV updated Jun 28, 2022
List index out of range while training the NN
#370 opened Nov 1, 2022 by FranK1308 updated Nov 1, 2022
Review request for disordered structure example
#385 opened Mar 9, 2023 by resnant updated Mar 11, 2023
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