posebench-fast 0.1.1__tar.gz → 0.1.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/PKG-INFO +1 -2
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/README.md +0 -1
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/pyproject.toml +1 -1
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/__init__.py +1 -1
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/metrics/rmsd.py +1 -1
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/datasets/__init__.py +0 -0
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/filters/__init__.py +0 -0
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/filters/fast_filters.py +0 -0
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/metrics/__init__.py +0 -0
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/metrics/aggregation.py +0 -0
- {posebench_fast-0.1.1 → posebench_fast-0.1.2}/src/posebench_fast/utils/__init__.py +0 -0
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Metadata-Version: 2.4
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Name: posebench-fast
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Version: 0.1.
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Version: 0.1.2
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Summary: Fast docking evaluation metrics: symmetry-corrected RMSD and PoseBusters filters
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Keywords: docking,rmsd,posebusters,molecular-docking,benchmark
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Author: Nikolenko
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- **[PoseBench](https://github.com/BioinfoMachineLearning/PoseBench)** - Original comprehensive benchmark suite for molecular docking. Use if you need full datasets and reproducible benchmark runs.
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- [spyrmsd](https://github.com/RMeli/spyrmsd) - Symmetry-corrected RMSD algorithms
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- [PoseBusters](https://github.com/maabuu/posebusters) - Full physical validity validation (27 tests)
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- [DiffDock](https://github.com/gcorso/DiffDock) - Fast filter implementations origin
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## License
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- **[PoseBench](https://github.com/BioinfoMachineLearning/PoseBench)** - Original comprehensive benchmark suite for molecular docking. Use if you need full datasets and reproducible benchmark runs.
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- [spyrmsd](https://github.com/RMeli/spyrmsd) - Symmetry-corrected RMSD algorithms
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- [PoseBusters](https://github.com/maabuu/posebusters) - Full physical validity validation (27 tests)
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- [DiffDock](https://github.com/gcorso/DiffDock) - Fast filter implementations origin
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## License
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