Matbench Discovery Challenge#729

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sundusaijaz wants to merge 16 commits intodevfrom

Commits on Apr 18, 2025

extra
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Commits on Jun 3, 2025

Update MPTRJ configuration and dataset loader
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Commits on Jun 10, 2025

Update MPTRJ configuration
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Commits on Jul 28, 2025

Update MPTraj dataset loader to change units
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Commits on Aug 1, 2025

Refactor MPTraj dataset loader to streamline data preparation, update dataset configuration, and enhance structure loading from zip files.
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Merge branch 'dev' into sa/matbench
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