FEAT: ChargE3Net Fine-Tuning Pipeline on LeMatRho#8

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speckhard wants to merge 7 commits intoLeMaterial:mainfrom

speckhard:feat/charge3net

Commits on Mar 13, 2026

Training pipeline to train Charge3net on LeMat-Rho
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Commits on Mar 16, 2026

Add W&B logging, RMSE/NRMSE metrics, and Jean Zay SLURM script
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Fix wandb on air-gapped clusters: add offline mode and init timeout
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Add --resume-from for checkpoint resumption across SLURM jobs
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Commits on Mar 18, 2026

Add PYTHONUNBUFFERED=1 to SLURM script for real-time log output
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Commits on Apr 7, 2026