sawnergy 1.0.2__tar.gz → 1.0.3__tar.gz
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- {sawnergy-1.0.2/sawnergy.egg-info → sawnergy-1.0.3}/PKG-INFO +10 -3
- {sawnergy-1.0.2 → sawnergy-1.0.3}/README.md +6 -2
- {sawnergy-1.0.2 → sawnergy-1.0.3/sawnergy.egg-info}/PKG-INFO +10 -3
- {sawnergy-1.0.2 → sawnergy-1.0.3}/LICENSE +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/NOTICE +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/__init__.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/embedding/SGNS_pml.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/embedding/SGNS_torch.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/embedding/__init__.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/embedding/embedder.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/logging_util.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/rin/__init__.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/rin/rin_builder.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/rin/rin_util.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/sawnergy_util.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/visual/__init__.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/visual/visualizer.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/visual/visualizer_util.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/walks/__init__.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/walks/walker.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy/walks/walker_util.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy.egg-info/SOURCES.txt +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy.egg-info/dependency_links.txt +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy.egg-info/requires.txt +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/sawnergy.egg-info/top_level.txt +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/setup.cfg +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/tests/test_embedding.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/tests/test_rin.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/tests/test_storage.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/tests/test_visual.py +0 -0
- {sawnergy-1.0.2 → sawnergy-1.0.3}/tests/test_walks.py +0 -0
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Metadata-Version: 2.4
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Name: sawnergy
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Version: 1.0.
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Version: 1.0.3
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Summary: Toolkit for transforming molecular dynamics (MD) trajectories into rich graph representations
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Home-page: https://github.com/Yehor-Mishchyriak/SAWNERGY
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Author: Yehor Mishchyriak
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License: Apache-2.0
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Project-URL: Source, https://github.com/Yehor-Mishchyriak/SAWNERGY
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Project-URL: Tracker, https://github.com/Yehor-Mishchyriak/SAWNERGY/issues
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Classifier: Programming Language :: Python :: 3
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Classifier: License :: OSI Approved :: Apache Software License
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Classifier: Operating System :: OS Independent
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# SAWNERGY
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[](https://pypi.org/project/sawnergy/)
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[](https://github.com/Yehor-Mishchyriak/SAWNERGY/blob/main/LICENSE)
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A toolkit for transforming molecular dynamics (MD) trajectories into rich graph representations, sampling
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random and self-avoiding walks, learning node embeddings, and visualising residue interaction networks (RINs). SAWNERGY
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keeps the full workflow — from `cpptraj` output to skip-gram embeddings (node2vec approach) — inside Python, backed by efficient Zarr-based archives and optional GPU acceleration.
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## Small visual example (constructed fully from trajectory and topology files)
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---
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# SAWNERGY
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[](https://pypi.org/project/sawnergy/)
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[](https://github.com/Yehor-Mishchyriak/SAWNERGY/blob/main/LICENSE)
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A toolkit for transforming molecular dynamics (MD) trajectories into rich graph representations, sampling
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random and self-avoiding walks, learning node embeddings, and visualising residue interaction networks (RINs). SAWNERGY
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keeps the full workflow — from `cpptraj` output to skip-gram embeddings (node2vec approach) — inside Python, backed by efficient Zarr-based archives and optional GPU acceleration.
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## Small visual example (constructed fully from trajectory and topology files)
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---
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Name: sawnergy
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Version: 1.0.3
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Summary: Toolkit for transforming molecular dynamics (MD) trajectories into rich graph representations
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Home-page: https://github.com/Yehor-Mishchyriak/SAWNERGY
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Author: Yehor Mishchyriak
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License: Apache-2.0
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Project-URL: Source, https://github.com/Yehor-Mishchyriak/SAWNERGY
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Project-URL: Tracker, https://github.com/Yehor-Mishchyriak/SAWNERGY/issues
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Classifier: Programming Language :: Python :: 3
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Classifier: License :: OSI Approved :: Apache Software License
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Classifier: Operating System :: OS Independent
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# SAWNERGY
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[](https://pypi.org/project/sawnergy/)
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[](https://github.com/Yehor-Mishchyriak/SAWNERGY/blob/main/LICENSE)
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A toolkit for transforming molecular dynamics (MD) trajectories into rich graph representations, sampling
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random and self-avoiding walks, learning node embeddings, and visualising residue interaction networks (RINs). SAWNERGY
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keeps the full workflow — from `cpptraj` output to skip-gram embeddings (node2vec approach) — inside Python, backed by efficient Zarr-based archives and optional GPU acceleration.
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---
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## Small visual example (constructed fully from trajectory and topology files)
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