diff --git a/TODO.md b/TODO.md index 14dfc10..bdd890e 100644 --- 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 index eb775ec..f8ed579 100644 --- 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',