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atomistic-machine-learning / schnetpack Public

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Pull requests: atomistic-machine-learning/schnetpack

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Pull requests list

Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput

#782 opened Feb 23, 2026 by rush42

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AtomsDataset and DataModule Refactor

#781 opened Feb 22, 2026 by sundusaijaz

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rMD17 data download fallback URL

#780 opened Jan 20, 2026 by sundusaijaz

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MPTraj Data Class & Config

#773 opened Dec 23, 2025 by sundusaijaz

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pymatgen nbh list update

#762 opened Dec 4, 2025 by jnsLs

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1

use numerical stability parameter for calculatiung d_ij

#739 opened Jun 24, 2025 by stefaanhessmann • Draft

3

Matbench Discovery Challenge

#729 opened May 27, 2025 by sundusaijaz • Draft

Ep/bernstein adaptive loss

#667 opened Oct 24, 2024 by epens94

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