sawnergy 1.0.1__py3-none-any.whl → 1.0.2__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.

Potentially problematic release.


This version of sawnergy might be problematic. Click here for more details.

@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: sawnergy
3
- Version: 1.0.1
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
+ ![rin](https://github.com/Yehor-Mishchyriak/SAWNERGY/blob/main/assets/rin.png)
76
+ ![embedding](https://github.com/Yehor-Mishchyriak/SAWNERGY/blob/main/assets/embedding.png)
77
+
78
+ ---
79
+
74
80
  ## Core Components
75
81
 
76
82
  ### `sawnergy.rin.RINBuilder`
@@ -14,9 +14,9 @@ sawnergy/visual/visualizer_util.py,sha256=C9W22CJmfJuTV5_uYsEnG8YChR4nH7OHKbNz26
14
14
  sawnergy/walks/__init__.py,sha256=Z_Kaffhn3oUX13z9jbY0V5Ncdwj9Cnr--n9D-s7gh5k,250
15
15
  sawnergy/walks/walker.py,sha256=Yj8FlIGYXNR1lK5ORE-TICr74k8ifargp1Ddswl5aFc,36808
16
16
  sawnergy/walks/walker_util.py,sha256=ETdyPNIDwDQCA8Z5t38keBhYBJ56_ksT_0NhOCY-tHE,15361
17
- sawnergy-1.0.1.dist-info/licenses/LICENSE,sha256=cElK4bCsDhyAEON3H05s35bQZvxBcXBiCOrOdiUhDCY,11346
18
- sawnergy-1.0.1.dist-info/licenses/NOTICE,sha256=eVTbuSasZrmMJVtKoWOzsKyu4ZNm7Ks7dzI3Tx5tEHc,109
19
- sawnergy-1.0.1.dist-info/METADATA,sha256=c1pVt9LxmzOzRjh1ofT9JdUxlsDsC1izMhkIOBdWBYI,12649
20
- sawnergy-1.0.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
21
- sawnergy-1.0.1.dist-info/top_level.txt,sha256=-67FQD6FD9Gjt74WTmO9hNYA3MLB4HaSxci0sEKC5Lo,9
22
- sawnergy-1.0.1.dist-info/RECORD,,
17
+ sawnergy-1.0.2.dist-info/licenses/LICENSE,sha256=cElK4bCsDhyAEON3H05s35bQZvxBcXBiCOrOdiUhDCY,11346
18
+ sawnergy-1.0.2.dist-info/licenses/NOTICE,sha256=eVTbuSasZrmMJVtKoWOzsKyu4ZNm7Ks7dzI3Tx5tEHc,109
19
+ sawnergy-1.0.2.dist-info/METADATA,sha256=gIHmEUZEFDKPN_4h4jU_8-cH7cKalHe3OeUTJxU-5v8,12904
20
+ sawnergy-1.0.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
21
+ sawnergy-1.0.2.dist-info/top_level.txt,sha256=-67FQD6FD9Gjt74WTmO9hNYA3MLB4HaSxci0sEKC5Lo,9
22
+ sawnergy-1.0.2.dist-info/RECORD,,