updates for 0.5

drorlab · Dec 7, 2024 · 99bda70 · 99bda70
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diff --git a/TODO.md b/TODO.md
@@ -52,12 +52,6 @@
 - [ ] Implement [Non-Negative Matrix Factorization](https://onlinelibrary.wiley.com/doi/10.1002/env.3170050203).
 
 ### Done  ✓
-- [x] Colab Tutorial
-  - [x] Put Notebook on Colab and get it to run.
-  - [x] Add visualizations.
-  - [x] Fix installation via pip.
-  - [x] Fix animations (they only show white canvas).
-  - [x] Add TICA to Colab tutorial.
 - [x] Include TICA in unit tests
 - [x] Write "getting started" for documentation
 - [x] Refactoring and fixes for release 0.2
@@ -86,6 +80,7 @@
   - [x] SSI
 
 ### Abandoned
+- [x] Colab Tutorial
 - [ ] Frame classification via CNN on features
   - [x] Prototype to classify simulation frames --> Diffnets probably more powerful.
   - [ ] Interpret weights as relevance of features

diff --git a/setup.py b/setup.py
@@ -2,7 +2,7 @@
 
 setup(
     name='pensa',
-    version='0.4.0',
+    version='0.5.0',
     description='exploratory analysis and comparison of biomolecular conformational ensembles.',
     url='http://github.com/drorlab/pensa',
     author='Martin Voegele, Neil Thomson, Sang Truong, Jasper McAvity',