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Merge pull request #35 from couxxuoc/fix/33-check-positions-jaxmd_utils CI #125: Commit 5c6f369 pushed by kabylda
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jaxpme import bugfix CI #123: Commit 5ec39b9 pushed by kabylda
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check that input contains only supported elements CI #122: Commit bb3da20 pushed by kabylda
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version bump 0.1.0 CI #121: Commit a88d6ef pushed by kabylda
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minor finetune yaml update CI #120: Commit 0e5e6d3 pushed by kabylda
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minor finetune yaml update CI #119: Commit 8227d52 pushed by kabylda
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2x faster NPT (jax-md update) and minor changes CI #118: Commit 6a82458 pushed by kabylda
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jax-md update and minor changes CI #117: Commit cb94594 pushed by kabylda
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coming soon in readme CI #116: Commit 53bd64e pushed by kabylda
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update finetuning readme CI #115: Commit 5c27cde pushed by kabylda
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update readme with so3lr finetune CI #114: Commit 296ef2a pushed by kabylda
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Merge pull request #28 from general-molecular-simulations/so3lr_dev_2… CI #113: Commit 0548529 pushed by kabylda
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so3lr dev v241025 CI #112: Pull request #28 synchronize by kabylda
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so3lr dev v241025 CI #111: Pull request #28 synchronize by kabylda
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Merge pull request #27 from PetraNavarcikova/nve_cli CI #110: Commit 5dbc849 pushed by kabylda
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fix orbax-checkpoint version for consistency CI #108: Commit 32129bf pushed by kabylda
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bind_energy example update CI #107: Commit 4631cf4 pushed by kabylda
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paper link update CI #106: Commit 2e19a1c pushed by kabylda
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citations update CI #105: Commit d76d940 pushed by kabylda
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error metrics fix: printed force mae/rmse was 3x higher than it is la… CI #104: Commit 29ecf44 pushed by kabylda
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Change lr-cutoff value in README example CI #103: Commit a4fdfe9 pushed by kabylda
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per-atom/batch error metrics aggregation fix CI #102: Commit eef6687 pushed by kabylda
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Update README.md CI #100: Commit fc8f2cb pushed by kabylda
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note on lr-cutoff CI #99: Commit f8caa9b pushed by kabylda
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note on uv CI #98: Commit 1235346 pushed by kabylda
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