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Validation Structures of None results in termination for PotentialTrainer

Status: Open.

#73 In materialyzeai/m3gnet;

· danielsauceda opened on May 2, 2023

Recovering MatBench results from weights for submission

Status: Open.

#67 In materialyzeai/m3gnet;

· PatReis opened on Mar 31, 2023

Model restored from checkpoint predicts wrong energies

Status: Open.

#66 In materialyzeai/m3gnet;

· dembart opened on Mar 28, 2023

Potential fails to predict structure without threebody interaction in threebody cutoff of 4 Å

Status: Open.

#64 In materialyzeai/m3gnet;

· JiQi535 opened on Mar 24, 2023

M3GNet will crash if it meets some materials in Material project, here are the mp-ids, any hint to fix them?

Status: Open.

#63 In materialyzeai/m3gnet;

· liuxiaotong15 opened on Mar 9, 2023

is this model can use multi cpu for relaxing?

Status: Open.

#60 In materialyzeai/m3gnet;

· sunjiwon opened on Mar 2, 2023

Derivatives of forces are NaN when there's a right angle in a structure

Status: Open.

#58 In materialyzeai/m3gnet;

· SiLiKhon opened on Feb 16, 2023

a suggestion to change predict_structure function name of m3gNet to predict_energy

Status: Open.

#55 In materialyzeai/m3gnet;

· usccolumbia opened on Jan 26, 2023

Error in loss function during training

Status: Open.

#53 In materialyzeai/m3gnet;

· R-applet opened on Jan 20, 2023

Cannot read 'structure' of the figshare training data

Status: Open.

#51 In materialyzeai/m3gnet;

· funihang opened on Jan 13, 2023

Feature request: relaxation under pressure

Status: Open.

#41 In materialyzeai/m3gnet;

· Youjin1985 opened on Oct 13, 2022

Only isolated atom calculation is difficult for m3gnet?

Status: Open.

#38 In materialyzeai/m3gnet;

· jinkera opened on Oct 5, 2022