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This repository has been archived by the owner on Jun 6, 2023. It is now read-only.

Issues: materialsvirtuallab/m3gnet

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Issues list

Validation Structures of None results in termination for PotentialTrainer
#73 opened May 2, 2023 by danielsauceda
Recovering MatBench results from weights for submission
#67 opened Mar 31, 2023 by PatReis
Model restored from checkpoint predicts wrong energies
#66 opened Mar 28, 2023 by dembart
Potential fails to predict structure without threebody interaction in threebody cutoff of 4 Å
#64 opened Mar 24, 2023 by JiQi535
5
M3GNet will crash if it meets some materials in Material project, here are the mp-ids, any hint to fix them?
#63 opened Mar 9, 2023 by liuxiaotong15
3
is this model can use multi cpu for relaxing?
#60 opened Mar 2, 2023 by sunjiwon
Derivatives of forces are NaN when there's a right angle in a structure
#58 opened Feb 16, 2023 by SiLiKhon
a suggestion to change predict_structure function name of m3gNet to predict_energy
#55 opened Jan 26, 2023 by usccolumbia
1
Error in loss function during training
#53 opened Jan 20, 2023 by R-applet
1
Cannot read 'structure' of the figshare training data
#51 opened Jan 13, 2023 by funihang
2
Feature request: relaxation under pressure
#41 opened Oct 13, 2022 by Youjin1985
Only isolated atom calculation is difficult for m3gnet?
#38 opened Oct 5, 2022 by jinkera
1
Transfer learning with m3gnet
#33 opened Sep 30, 2022 by hitarth64
Training is slower without stress?
#28 opened Sep 13, 2022 by VvVLzy
4
could u provide a simple code example how to call the pretrained model to prediction formation energy?
#27 opened Sep 13, 2022 by usccolumbia
3
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