sawnergy 1.0.0__tar.gz → 1.0.1__tar.gz

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  1. {sawnergy-1.0.0/sawnergy.egg-info → sawnergy-1.0.1}/PKG-INFO +1 -20
  2. {sawnergy-1.0.0 → sawnergy-1.0.1}/README.md +0 -19
  3. {sawnergy-1.0.0 → sawnergy-1.0.1/sawnergy.egg-info}/PKG-INFO +1 -20
  4. {sawnergy-1.0.0 → sawnergy-1.0.1}/LICENSE +0 -0
  5. {sawnergy-1.0.0 → sawnergy-1.0.1}/NOTICE +0 -0
  6. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/__init__.py +0 -0
  7. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/embedding/SGNS_pml.py +0 -0
  8. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/embedding/SGNS_torch.py +0 -0
  9. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/embedding/__init__.py +0 -0
  10. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/embedding/embedder.py +0 -0
  11. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/logging_util.py +0 -0
  12. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/rin/__init__.py +0 -0
  13. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/rin/rin_builder.py +0 -0
  14. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/rin/rin_util.py +0 -0
  15. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/sawnergy_util.py +0 -0
  16. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/visual/__init__.py +0 -0
  17. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/visual/visualizer.py +0 -0
  18. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/visual/visualizer_util.py +0 -0
  19. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/walks/__init__.py +0 -0
  20. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/walks/walker.py +0 -0
  21. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/walks/walker_util.py +0 -0
  22. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy.egg-info/SOURCES.txt +0 -0
  23. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy.egg-info/dependency_links.txt +0 -0
  24. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy.egg-info/requires.txt +0 -0
  25. {sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy.egg-info/top_level.txt +0 -0
  26. {sawnergy-1.0.0 → sawnergy-1.0.1}/setup.cfg +0 -0
  27. {sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_embedding.py +0 -0
  28. {sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_rin.py +0 -0
  29. {sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_storage.py +0 -0
  30. {sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_visual.py +0 -0
  31. {sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_walks.py +0 -0
{sawnergy-1.0.0/sawnergy.egg-info → sawnergy-1.0.1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: sawnergy
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- Version: 1.0.0
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+ Version: 1.0.1
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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
@@ -249,24 +249,6 @@ v.build_frame(1,
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  ---
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- ## Testing & Quality Assurance
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-
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- The automated test suite (`pytest`) synthesises deterministic cpptraj outputs and exercises the entire workflow:
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-
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- - RIN parsing, residue aggregation, and metadata verification.
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- - Random/self-avoiding walk sampling and probability consistency with the RIN.
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- - Embedding orchestration, frame ordering, SGNS pair generation property tests.
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- - PureML and PyTorch SGNS smoke tests verifying finite weights and decreasing loss.
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- - Visualiser smoke tests that cover data loading and artist updates.
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-
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- Run the suite (inside the project virtualenv):
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-
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- ```bash
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- python -m pytest
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- ```
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-
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- ---
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-
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  ## Project Structure
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  ```
@@ -277,7 +259,6 @@ python -m pytest
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  │ ├── visual/ # Visualizer and palette utilities
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  │ ├── logging_util.py
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  │ └── sawnergy_util.py
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- ├── tests/ # Synthetic end-to-end tests (pytest)
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  │
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  └── README.md
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  ```
{sawnergy-1.0.0 → sawnergy-1.0.1}/README.md RENAMED
@@ -218,24 +218,6 @@ v.build_frame(1,
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  ---
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- ## Testing & Quality Assurance
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-
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- The automated test suite (`pytest`) synthesises deterministic cpptraj outputs and exercises the entire workflow:
224
-
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- - RIN parsing, residue aggregation, and metadata verification.
226
- - Random/self-avoiding walk sampling and probability consistency with the RIN.
227
- - Embedding orchestration, frame ordering, SGNS pair generation property tests.
228
- - PureML and PyTorch SGNS smoke tests verifying finite weights and decreasing loss.
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- - Visualiser smoke tests that cover data loading and artist updates.
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-
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- Run the suite (inside the project virtualenv):
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-
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- ```bash
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- python -m pytest
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- ```
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-
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- ---
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-
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  ## Project Structure
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  ```
@@ -246,7 +228,6 @@ python -m pytest
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  │ ├── visual/ # Visualizer and palette utilities
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  │ ├── logging_util.py
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  │ └── sawnergy_util.py
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- ├── tests/ # Synthetic end-to-end tests (pytest)
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  │
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  └── README.md
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  ```
{sawnergy-1.0.0 → sawnergy-1.0.1/sawnergy.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: sawnergy
3
- Version: 1.0.0
3
+ Version: 1.0.1
4
4
  Summary: Toolkit for transforming molecular dynamics (MD) trajectories into rich graph representations
5
5
  Home-page: https://github.com/Yehor-Mishchyriak/SAWNERGY
6
6
  Author: Yehor Mishchyriak
@@ -249,24 +249,6 @@ v.build_frame(1,
249
249
 
250
250
  ---
251
251
 
252
- ## Testing & Quality Assurance
253
-
254
- The automated test suite (`pytest`) synthesises deterministic cpptraj outputs and exercises the entire workflow:
255
-
256
- - RIN parsing, residue aggregation, and metadata verification.
257
- - Random/self-avoiding walk sampling and probability consistency with the RIN.
258
- - Embedding orchestration, frame ordering, SGNS pair generation property tests.
259
- - PureML and PyTorch SGNS smoke tests verifying finite weights and decreasing loss.
260
- - Visualiser smoke tests that cover data loading and artist updates.
261
-
262
- Run the suite (inside the project virtualenv):
263
-
264
- ```bash
265
- python -m pytest
266
- ```
267
-
268
- ---
269
-
270
252
  ## Project Structure
271
253
 
272
254
  ```
@@ -277,7 +259,6 @@ python -m pytest
277
259
  │ ├── visual/ # Visualizer and palette utilities
278
260
  │ ├── logging_util.py
279
261
  │ └── sawnergy_util.py
280
- ├── tests/ # Synthetic end-to-end tests (pytest)
281
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  │
282
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  └── README.md
283
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  ```
{sawnergy-1.0.0 → sawnergy-1.0.1}/LICENSE RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/NOTICE RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/sawnergy/__init__.py RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/setup.cfg RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_rin.py RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_storage.py RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_visual.py RENAMED
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{sawnergy-1.0.0 → sawnergy-1.0.1}/tests/test_walks.py RENAMED
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