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docs: reflect package restructure and expand API reference Python package #30: Commit f7feec8 pushed by niklashoelter
4m 33s master
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Merge pull request #32 from niklashoelter/refactor/package-structure Python package #29: Commit ad6e0b4 pushed by niklashoelter
4m 17s master
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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
4m 28s master
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Prepare 0.7.0: bump pins, make SevenNet + nvMolKit core deps Python package #25: Commit 4dea74c pushed by niklashoelter
5m 18s master
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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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docs: add README badge bar, move HF token note, drop ORB section from… Python package #16: Commit ab3257f pushed by niklashoelter
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release prep: align defaults, prune dead helper, address audit findings Python package #15: Commit c5c390c pushed by niklashoelter
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updated to torchsim 6.0.0, modified benchmarks and optimized torchsim… Python package #14: Commit 1ba98c8 pushed by niklashoelter
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fix tests Python package #13: Commit ba36020 pushed by niklashoelter
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updated to torchsim 6.0.0 - included full benchmark examples Python package #12: Commit aad2b3c pushed by niklashoelter
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updated to torchsim 6.0.0 - included full benchmark examples Python package #11: Commit 89d5587 pushed by niklashoelter
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Python package Python package #10: by niklashoelter
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Merge pull request #26 from niklashoelter/feature/all-torchsim-optimi… Python package #9: Commit 1d105a1 pushed by niklashoelter
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Merge pull request #25 from niklashoelter/orb_v3 Python package #8: Commit 20c62f6 pushed by niklashoelter
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release 0.5.1 Python package #7: Commit dbac449 pushed by niklashoelter
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Merge pull request #24 from niklashoelter/enable-full-test-suite-8338… Python package #6: Commit 98391ee pushed by niklashoelter
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