sawnergy 1.0.1__tar.gz → 1.0.2__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.
- {sawnergy-1.0.1/sawnergy.egg-info → sawnergy-1.0.2}/PKG-INFO +7 -1
- {sawnergy-1.0.1 → sawnergy-1.0.2}/README.md +6 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2/sawnergy.egg-info}/PKG-INFO +7 -1
- {sawnergy-1.0.1 → sawnergy-1.0.2}/LICENSE +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/NOTICE +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/__init__.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/embedding/SGNS_pml.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/embedding/SGNS_torch.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/embedding/__init__.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/embedding/embedder.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/logging_util.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/rin/__init__.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/rin/rin_builder.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/rin/rin_util.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/sawnergy_util.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/visual/__init__.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/visual/visualizer.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/visual/visualizer_util.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/walks/__init__.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/walks/walker.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy/walks/walker_util.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy.egg-info/SOURCES.txt +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy.egg-info/dependency_links.txt +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy.egg-info/requires.txt +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/sawnergy.egg-info/top_level.txt +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/setup.cfg +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/tests/test_embedding.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/tests/test_rin.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/tests/test_storage.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/tests/test_visual.py +0 -0
- {sawnergy-1.0.1 → sawnergy-1.0.2}/tests/test_walks.py +0 -0
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
Metadata-Version: 2.4
|
|
2
2
|
Name: sawnergy
|
|
3
|
-
Version: 1.0.
|
|
3
|
+
Version: 1.0.2
|
|
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
|
|
@@ -71,6 +71,12 @@ node indexing, and RNG seeds stay consistent across the toolchain.
|
|
|
71
71
|
|
|
72
72
|
---
|
|
73
73
|
|
|
74
|
+
## Small visual example (constructed fully from trajectory and topology files)
|
|
75
|
+

|
|
76
|
+

|
|
77
|
+
|
|
78
|
+
---
|
|
79
|
+
|
|
74
80
|
## Core Components
|
|
75
81
|
|
|
76
82
|
### `sawnergy.rin.RINBuilder`
|
|
@@ -40,6 +40,12 @@ node indexing, and RNG seeds stay consistent across the toolchain.
|
|
|
40
40
|
|
|
41
41
|
---
|
|
42
42
|
|
|
43
|
+
## Small visual example (constructed fully from trajectory and topology files)
|
|
44
|
+

|
|
45
|
+

|
|
46
|
+
|
|
47
|
+
---
|
|
48
|
+
|
|
43
49
|
## Core Components
|
|
44
50
|
|
|
45
51
|
### `sawnergy.rin.RINBuilder`
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
Metadata-Version: 2.4
|
|
2
2
|
Name: sawnergy
|
|
3
|
-
Version: 1.0.
|
|
3
|
+
Version: 1.0.2
|
|
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
|
|
@@ -71,6 +71,12 @@ node indexing, and RNG seeds stay consistent across the toolchain.
|
|
|
71
71
|
|
|
72
72
|
---
|
|
73
73
|
|
|
74
|
+
## Small visual example (constructed fully from trajectory and topology files)
|
|
75
|
+

|
|
76
|
+

|
|
77
|
+
|
|
78
|
+
---
|
|
79
|
+
|
|
74
80
|
## Core Components
|
|
75
81
|
|
|
76
82
|
### `sawnergy.rin.RINBuilder`
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|