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ImportError: cannot import name 'ReduceLRUponNan' from 'megnet.callbacks' in multifidelity/train.py

Status: Open.

#386 In materialsvirtuallab/megnet;

· okunoyukihiro2 opened on Mar 23, 2023

Review request for disordered structure example

Status: Open.

#385 In materialsvirtuallab/megnet;

· resnant opened on Mar 9, 2023

List index out of range while training the NN

Status: Open.

#370 In materialsvirtuallab/megnet;

· FranK1308 opened on Nov 1, 2022

Unable to understand the shape of the target/output tensor for example in "Customized Graph Network Models"

Status: Open.

#369 In materialsvirtuallab/megnet;

· yudhajitp opened on Sep 29, 2022

Problem with load molecule data from ase

Status: Open.

#354 In materialsvirtuallab/megnet;

· dimka11 opened on Mar 31, 2022

unlockNN module for uncertainty quantification of MEGNet

Status: Open.

#338 In materialsvirtuallab/megnet;

· sgbaird opened on Jan 31, 2022

Might be nice to see MEGNet on matbench

Status: Open.

#333 In materialsvirtuallab/megnet;

· sgbaird opened on Jan 22, 2022

could you please provide an example to predict disordered structure?

Status: Open.

#317 In materialsvirtuallab/megnet;

· liuxiaotong15 opened on Dec 20, 2021

Multi-output Regression

Status: Open.

#313 In materialsvirtuallab/megnet;

· Pravanop opened on Dec 11, 2021

Can MEGNet be made end-to-end differentiable wrt atomic positions of atoms?

Status: Open.

#301 In materialsvirtuallab/megnet;

· CompRhys opened on Nov 7, 2021

copy layers error?

Status: Open.

#286 In materialsvirtuallab/megnet;

· tony-dd opened on Sep 15, 2021

Train the model for customised train-test split

Status: Open.

#281 In materialsvirtuallab/megnet;

· kdmsit opened on Aug 28, 2021