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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 Contributor Loading…
AtomsDataset and DataModule Refactor
#781 opened Feb 22, 2026 by sundusaijaz Collaborator Loading…
43
MPTraj Data Class & Config
#773 opened Dec 23, 2025 by sundusaijaz Collaborator Loading…
pymatgen nbh list update
#762 opened Dec 4, 2025 by jnsLs Collaborator Loading…
1
use numerical stability parameter for calculatiung d_ij
#739 opened Jun 24, 2025 by stefaanhessmann Collaborator • Draft
3
Matbench Discovery Challenge
#729 opened May 27, 2025 by sundusaijaz Collaborator • Draft
@sundusaijaz
11
Ep/bernstein adaptive loss
#667 opened Oct 24, 2024 by epens94 Collaborator Loading…
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