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add train=true/false flag to freeze checkpoint weights CI #433: Commit 00044fa pushed by copy-pr-bot Bot
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pull-request/117
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fix: preserve inactive cells during masked updates (#116) CI #432: Commit 7646020 pushed by github-merge-queue Bot
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CI CI #431: Merge group checks requested
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update changelog CI #430: Commit 8344178 pushed by copy-pr-bot Bot
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pull-request/117
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test: cover masked post-update cell restoration CI #429: Commit 60e58cd pushed by copy-pr-bot Bot
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pull-request/116
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CI CI #428: Scheduled
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Resolve ewald cache shape issue (#110) CI #427: Commit 01c99d5 pushed by github-merge-queue Bot
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CI CI #426: Merge group checks requested
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update tolerances and break up OR statement CI #425: Commit b0af7b4 pushed by copy-pr-bot Bot
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pull-request/110
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fix(models): symmetrize prepare_strain displacement (#111) CI #424: Commit 176d4fe pushed by github-merge-queue Bot
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CI CI #423: Merge group checks requested
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fix(models): symmetrize prepare_strain displacement CI #422: Commit dde5b3d pushed by copy-pr-bot Bot
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CI CI #420: Scheduled
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Examples Examples #12: Scheduled
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CI CI #418: Scheduled
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Fix NHC total scale reset (#105) CI #417: Commit 62c6820 pushed by github-merge-queue Bot
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CI CI #416: Merge group checks requested
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CI CI #415: Scheduled
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CI CI #414: Scheduled
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Add support for per-sample and per-batch transforms to Dataset and Da… CI #413: Commit ae9897f pushed by github-merge-queue Bot
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CI CI #412: Merge group checks requested
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Merge branch 'main' into feat-dataset-transforms CI #411: Commit 3d3216d pushed by copy-pr-bot Bot
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Expose Slab Correction in Electrostatics Wrappers (#103) CI #410: Commit 63247ba pushed by github-merge-queue Bot
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