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build: keep gitignored benchmark data out of the sdist Python package #31: Commit d772690 pushed by niklashoelter
4m 57s master
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build: keep gitignored benchmark data out of the sdist Mirror to AK Glorius Group Repo #30: 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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docs: reflect package restructure and expand API reference Mirror to AK Glorius Group Repo #29: Commit f7feec8 pushed by niklashoelter
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Merge pull request #32 from niklashoelter/refactor/package-structure Mirror to AK Glorius Group Repo #28: Commit ad6e0b4 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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docs: update for 0.7.0 (SevenNet, nvMolKit) and enable --model-type s… Mirror to AK Glorius Group Repo #27: 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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examples: add full-workflow benchmark (SMILES -> nvMolKit conformer g… Mirror to AK Glorius Group Repo #26: 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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test(sevennet): cover D3 dispersion correction paths Mirror to AK Glorius Group Repo #25: Commit 2f6e706 pushed by niklashoelter
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Prepare 0.7.0: bump pins, make SevenNet + nvMolKit core deps Mirror to AK Glorius Group Repo #24: Commit 4dea74c 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 #30 from avnoordenne/nvmolkit-cpu-morfeus Mirror to AK Glorius Group Repo #23: Commit d21e480 pushed by niklashoelter
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Merge pull request #31 from niklashoelter/feat/sevennet-backend Mirror to AK Glorius Group Repo #22: Commit b7e8c4c 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 #29 from niklashoelter/fix/batch-comment-model-name Mirror to AK Glorius Group Repo #21: Commit e4908d6 pushed by niklashoelter
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Merge pull request #28 from niklashoelter/fixed-xyz-reordering Mirror to AK Glorius Group Repo #20: Commit e3461ad 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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fix(orb): pin CUDA device for non-cuda:0 selection Mirror to AK Glorius Group Repo #19: Commit 3e4b05e pushed by niklashoelter
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