Pull requests · atomistic-machine-learning/schnetpack

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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! 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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! 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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! 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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! 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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! 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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! What’s not been updated in a month: updated:<2026-08-01. Footer © 2026 GitHub, Inc. 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Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert Uh oh! There was an error while loading. Please reload this page. atomistic-machine-learning /schnetpackPublic Notifications You must be signed in to change notification settings Fork 251 Star 937 Code Issues3 Pull requests13 Actions Projects Security and quality0 Insights Additional navigation options Code Issues Pull requests Actions Projects Security and quality Insights Pull requests: atomistic-machine-learning/schnetpack Labels 14 Milestones 0 Labels 14 Milestones 0New pull requestNew 13 Open 503 Closed 13 Open 503 Closed Author Filter by author Loading Uh oh! There was an error while loading. Please reload this page. Label Filter by label Loading Uh oh! There was an error while loading. Please reload this page. 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Sort Sort by NewestOldestMost commentedLeast commentedRecently updatedLeast recently updatedBest matchMost reactions 👍👎😄🎉😕❤️🚀👀 Pull requests list fixed split path directory bug #798 opened Aug 25, 2026 by jnsLsCollaboratorLoading… 1 updated lammps docs #797 opened Aug 17, 2026 by jnsLsCollaboratorLoading… 3 Batchwise optimizer performance improvements #795 opened Aug 14, 2026 by jnsLsCollaborator • Draft hydra search path bug bug Something isn't working #794 opened Aug 14, 2026 by jnsLsCollaboratorLoading… 1 Enhance ASEAtomsData with available properties caching #792 opened Aug 12, 2026 by sundusaijazCollaboratorLoading… fixed bug in dataset tests #791 opened Aug 11, 2026 by jnsLsCollaboratorLoading… 3 Jl/manifest #790 opened Aug 10, 2026 by jnsLsCollaboratorLoading…2 tasks 6 EMA Checkpoint Fix #789 opened Jul 28, 2026 by sundusaijazCollaboratorLoading… Bug-Fix: Fallback to empty dict when metrics=None in ModelOutput #782 opened Feb 23, 2026 by rush42ContributorLoading… MPTraj Data Class & Config #773 opened Dec 23, 2025 by sundusaijazCollaboratorLoading… use numerical stability parameter for calculatiung d_ij #739 opened Jun 24, 2025 by stefaanhessmannCollaborator • Draft 3 Matbench Discovery Challenge #729 opened May 27, 2025 by sundusaijazCollaborator • Draft 11 Ep/bernstein adaptive loss #667 opened Oct 24, 2024 by epens94CollaboratorLoading… ProTip! What’s not been updated in a month: updated:<2026-08-01. Footer © 2026 GitHub, Inc. Footer navigation Terms Privacy Security Status Community Docs Contact You can’t perform that action at this time.