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Prepare 0.8.0: bump version Python package #41: Commit 3a6ded1 pushed by niklashoelter
4m 45s master
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Merge pull request #39 from avnoordenne/fix/fairchem-local-checkpoint… Python package #40: Commit 9eab9f9 pushed by niklashoelter
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Merge pull request #41 from avnoordenne/fix/sequential-drops-failed-s… Python package #39: Commit ec56d38 pushed by niklashoelter
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Merge pull request #40 from avnoordenne/fix/autobatcher-memory-ceiling Python package #38: Commit 294b16d pushed by niklashoelter
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Merge pull request #38 from avnoordenne/fix/d3-calculator-double-eval… Python package #37: Commit 68bd583 pushed by niklashoelter
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Merge pull request #37 from avnoordenne/fix/cli-and-io-papercuts Python package #36: Commit e1a338a pushed by niklashoelter
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Merge pull request #36 from avnoordenne/fix/model-cache-key-drops-modal Python package #35: Commit 58ea99d pushed by niklashoelter
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Merge pull request #35 from avnoordenne/feat/symmetric-embed-prune Python package #34: Commit 20bfab3 pushed by niklashoelter
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Merge pull request #34 from avnoordenne/chore/torch-sim-0.6.2 Python package #33: Commit 098188e pushed by niklashoelter
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Merge pull request #33 from avnoordenne/feat/keep-all-embedding Python package #32: Commit d2d1502 pushed by niklashoelter
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build: keep gitignored benchmark data out of the sdist Python package #31: Commit d772690 pushed by niklashoelter
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docs: reflect package restructure and expand API reference Python package #30: Commit f7feec8 pushed by niklashoelter
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Merge pull request #32 from niklashoelter/refactor/package-structure Python package #29: Commit ad6e0b4 pushed by niklashoelter
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docs: update for 0.7.0 (SevenNet, nvMolKit) and enable --model-type s… Python package #28: Commit cd2854d pushed by niklashoelter
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examples: add full-workflow benchmark (SMILES -> nvMolKit conformer g… Python package #27: Commit ce2f464 pushed by niklashoelter
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test(sevennet): cover D3 dispersion correction paths Python package #26: Commit 2f6e706 pushed by niklashoelter
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Prepare 0.7.0: bump pins, make SevenNet + nvMolKit core deps Python package #25: Commit 4dea74c pushed by niklashoelter
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Merge pull request #30 from avnoordenne/nvmolkit-cpu-morfeus Python package #24: Commit d21e480 pushed by niklashoelter
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Merge pull request #31 from niklashoelter/feat/sevennet-backend Python package #23: Commit b7e8c4c pushed by niklashoelter
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Merge pull request #29 from niklashoelter/fix/batch-comment-model-name Python package #22: Commit e4908d6 pushed by niklashoelter
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Merge pull request #28 from niklashoelter/fixed-xyz-reordering Python package #21: Commit e3461ad pushed by niklashoelter
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fix: sort XYZ files in natural numerical order when reading directory Python package #20: Pull request #1 opened by avnoordenne
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fix(orb): pin CUDA device for non-cuda:0 selection Python package #19: Commit 3e4b05e pushed by niklashoelter
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docs: migrate mkdocstrings schema from selection/rendering to options Python package #18: Commit 1e7b8b3 pushed by niklashoelter
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docs: pin Python 3.12 in uv venv example Python package #17: Commit fd32bfd pushed by niklashoelter
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