sawnergy 1.0.2__py3-none-any.whl → 1.0.3__py3-none-any.whl
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.
- {sawnergy-1.0.2.dist-info → sawnergy-1.0.3.dist-info}/METADATA +10 -3
- {sawnergy-1.0.2.dist-info → sawnergy-1.0.3.dist-info}/RECORD +6 -6
- {sawnergy-1.0.2.dist-info → sawnergy-1.0.3.dist-info}/WHEEL +0 -0
- {sawnergy-1.0.2.dist-info → sawnergy-1.0.3.dist-info}/licenses/LICENSE +0 -0
- {sawnergy-1.0.2.dist-info → sawnergy-1.0.3.dist-info}/licenses/NOTICE +0 -0
- {sawnergy-1.0.2.dist-info → sawnergy-1.0.3.dist-info}/top_level.txt +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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Dynamic: home-page
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Dynamic: license
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Dynamic: license-file
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Dynamic: requires-dist
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Dynamic: summary
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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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---
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@@ -14,9 +14,9 @@ sawnergy/visual/visualizer_util.py,sha256=C9W22CJmfJuTV5_uYsEnG8YChR4nH7OHKbNz26
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sawnergy/walks/__init__.py,sha256=Z_Kaffhn3oUX13z9jbY0V5Ncdwj9Cnr--n9D-s7gh5k,250
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sawnergy/walks/walker.py,sha256=Yj8FlIGYXNR1lK5ORE-TICr74k8ifargp1Ddswl5aFc,36808
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sawnergy/walks/walker_util.py,sha256=ETdyPNIDwDQCA8Z5t38keBhYBJ56_ksT_0NhOCY-tHE,15361
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sawnergy-1.0.
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sawnergy-1.0.
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sawnergy-1.0.
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sawnergy-1.0.
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sawnergy-1.0.
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sawnergy-1.0.
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sawnergy-1.0.3.dist-info/licenses/LICENSE,sha256=cElK4bCsDhyAEON3H05s35bQZvxBcXBiCOrOdiUhDCY,11346
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sawnergy-1.0.3.dist-info/licenses/NOTICE,sha256=eVTbuSasZrmMJVtKoWOzsKyu4ZNm7Ks7dzI3Tx5tEHc,109
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sawnergy-1.0.3.dist-info/METADATA,sha256=m3cQkU2KNUCGJuNYne1mAyHkasiTyw6MeRZMbknuzsI,13367
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sawnergy-1.0.3.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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sawnergy-1.0.3.dist-info/top_level.txt,sha256=-67FQD6FD9Gjt74WTmO9hNYA3MLB4HaSxci0sEKC5Lo,9
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sawnergy-1.0.3.dist-info/RECORD,,
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File without changes
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File without changes
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File without changes
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