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Question about <code>inference_mode=False</code> in <code>pl.Trainer</code> and enabling gradients in validation and test step

Status: Open.

#11 In MarklandGroup/NMR2Struct;

· fedeotto opened on Jun 19, 2025

Are the H-only checkpoints available?

Status: Open.

#10 In MarklandGroup/NMR2Struct;

· newalexander opened on Jun 5, 2025

File not found error / examples

Status: Open.

#7 In MarklandGroup/NMR2Struct;

· SBlair2020 opened on Mar 7, 2025

MNOVA spectra generation scripts?

Status: Open.

#5 In MarklandGroup/NMR2Struct;

· allcatsaregrey opened on Jan 27, 2025

About Config Files

Status: Open.

#1 In MarklandGroup/NMR2Struct;

· ZhouGengmo opened on Nov 22, 2024