feat(adastra): port ChargE3Net fine-tuning to AMD MI250X on CINES Adastra#1

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feat/charge3net-adastra

Commits on May 20, 2026

feat(adastra): port ChargE3Net fine-tuning to AMD MI250X on CINES Adastra
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test(charge3net): structural rotational-equivariance + architecture guards
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feat(charge3net): DDP support + wandb soft-fail for Adastra half-node training
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feat(submit): parameterize Adastra submit script for pretrained vs from-scratch (TDD)
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feat(deepdft): LeMat-Rho -> DeepDFT data adapter (TDD)
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feat(deepdft): vendored runner + half-node DDP submit script (PR 2/2)
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fix(deepdft): paper-faithful single-GPU + drop val-loader eager preload
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fix(submit): drop --mem so half-node ChargE3Net jobs stay in shared mode
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fix(data): bounded LRU on _TABLE_CACHE + drop num-workers to 2
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Commits on May 21, 2026

Commits on Jun 1, 2026