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fix: model selection applied to boxplots in ring planarity and bond l… Documentation 📔 #84: Commit f322903 pushed by lwehrhan
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feat: add unit (#86) Documentation 📔 #83: Commit e5c7078 pushed by lwehrhan
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feat: add paper link to tautobase ui (#85) Documentation 📔 #82: Commit 8c8fe62 pushed by lwehrhan
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fix: remove spurious title (#94) Documentation 📔 #81: Commit c86c09f pushed by lwalew
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feat: increase stability cutoff from 2.0A -> 2.5A (#90) Documentation 📔 #80: Commit 36e0bfd pushed by lwalew
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feat: update gpu dependencies and mlip version (#92) Documentation 📔 #79: Commit 55e5ce0 pushed by lwalew
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feat: update gpu dependencies Documentation 📔 #78: Pull request #92 synchronize by lwalew
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ci: update uv run commands with proper flags in CI (#91) Documentation 📔 #77: Commit 2d9a5c0 pushed by lwalew
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fix: update the deploy docs CI job (#89) Documentation 📔 #76: Commit b8c7697 pushed by chrbrunk
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fix: clean up badges in README (#88) Documentation 📔 #75: Commit a71919d pushed by chrbrunk
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feat: update python (#84) Documentation 📔 #74: Commit ccc72a6 pushed by lwalew
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docs: make version prerelease and update README (#83) Documentation 📔 #73: Commit 8e575d5 pushed by chrbrunk
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docs: update README (#82) Documentation 📔 #72: Commit a9829f7 pushed by chrbrunk
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feat: add torsionnet500 link (#81) Documentation 📔 #71: Commit 9201525 pushed by lwalew
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fix: compute_rdf (#79) Documentation 📔 #70: Commit 5a2bbd5 pushed by lwalew
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fix: noncovalent interactions plot (#78) Documentation 📔 #69: Commit 3b25b47 pushed by lwalew
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feat: better logging (#74) Documentation 📔 #68: Commit 4a7f1b1 pushed by lwalew
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feat: add summary statistics to water rdf ui (#76) Documentation 📔 #67: Commit 8bb1dcb pushed by lwalew
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feat: update folding stability test cases (#72) Documentation 📔 #66: Commit b424683 pushed by lwalew
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feat: add padded boxes (#71) Documentation 📔 #65: Commit 1ecab2f pushed by lwalew
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feat: use ASE for all minimizations (#73) Documentation 📔 #64: Commit 8e036b9 pushed by lwalew
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feat: add neb benchmark (#57) Documentation 📔 #63: Commit 3d3430a pushed by lwalew
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feat: update minimization ui + typo (#68) Documentation 📔 #62: Commit 325423d pushed by lwalew
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feat: benefit from mlip v0.1.4 release & add tox (#70) Documentation 📔 #61: Commit d548f41 pushed by lwalew
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ci: Update CI to use Python image and fix failing tests in CI (#69) Documentation 📔 #60: Commit 0ea8aa9 pushed by chrbrunk
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