Issues

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

  materialyzeai/megnet#386 · Filter by author okunoyukihiro2 opened on Mar 23, 2023

• Review request for disordered structure example

  materialyzeai/megnet#385 · Filter by author resnant opened on Mar 9, 2023
  2

• List index out of range while training the NN

  materialyzeai/megnet#370 · Filter by author FranK1308 opened on Nov 1, 2022

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

  materialyzeai/megnet#369 · Filter by author yudhajitp opened on Sep 29, 2022

• Problem with load molecule data from ase

  materialyzeai/megnet#354 · Filter by author dimka11 opened on Mar 31, 2022
  4

• unlockNN module for uncertainty quantification of MEGNet

  materialyzeai/megnet#338 · Filter by author sgbaird opened on Jan 31, 2022
  5

• Might be nice to see MEGNet on matbench

  materialyzeai/megnet#333 · Filter by author sgbaird opened on Jan 22, 2022
  7

• could you please provide an example to predict disordered structure?

  materialyzeai/megnet#317 · Filter by author liuxiaotong15 opened on Dec 20, 2021
  12

• Multi-output Regression

  materialyzeai/megnet#313 · Filter by author Pravanop opened on Dec 11, 2021
  4

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

  materialyzeai/megnet#301 · Filter by author CompRhys opened on Nov 7, 2021
  8

• copy layers error?

  materialyzeai/megnet#286 · Filter by author tony-dd opened on Sep 15, 2021
  7

• Train the model for customised train-test split

  materialyzeai/megnet#281 · Filter by author kdmsit opened on Aug 28, 2021
  4

• Impossible to do classification training (ValueError)

  materialyzeai/megnet#276 · Filter by author LuciusV opened on Aug 15, 2021
  2

• ReduceLRUponNan Callback causes tensorflow.python.framework.errors_impl.FailedPreconditionError

  materialyzeai/megnet#220 · Filter by author a-ws-m opened on Feb 17, 2021
  3

• Training with save_checkpoint=True disables validation metrics logging

  materialyzeai/megnet#214 · Filter by author a-ws-m opened on Feb 4, 2021
  1

• Early stopping only works when save_checkpoint set True

  materialyzeai/megnet#189 · Filter by author EMD-2026 opened on Nov 19, 2020
  1

• Getting atomistic forces

  materialyzeai/megnet#170 · Filter by author jstoppelman opened on Sep 21, 2020
  2