# Changelog

## Version 2.0.0 (2026-02-19)

* Ported book from TensorFlow/Keras to PyTorch as the primary deep learning framework
* Ported chapters: introduction, layers, GNN, XAI, NLP, flows, QM9
* Replaced Haiku with Flax Linen and Keras models with PyTorch in XAI chapter
* Replaced TensorFlow Probability with normflows in flows chapter
* Updated framework discussion in index to reflect PyTorch as leading framework
* Fixed Shapley coalition sampling bug in XAI chapter
* Fixed moviepy compatibility issues for notebook builds

## Version 1.3.1 (2022-12-17)

* Added `linkify` to dependencies
* Fixed Issues #221, #202, #191, #215, #174, #201, #220, #211, #197, #198, #204

## Version 1.3.0 (2022-12-05)

* Fixed sklean pip install name
* Updated batch norm discussion
* Added exercises to GNN, XAI chapters
* Fixed discussion of pooling invariance
* Progress on molnet chapter

## Version 1.2.0 (2022-10-04)

* Added simpletransformers and e3nn dependencies
* Added two new chapters - e3nn_traj, pre-training
* Various fixes in Equivariant, tuning chapters.

## Version 1.1.1 (2022-09-13)

* Various typos/bug fixes in chapters
* Fixed import errors in dmol package
* Removed constantly failing branch deploy

## Version 1.1.0 (2022-07-05)

* Added more information on stereochemistry
* Added autoplayer for mp4s

## Version 1.0.0 (2022-07-01)

* Livecommsj release

## Version 0.5.1 (2022-06-20)

* Added SymPy
* Added description of nonlinearity to equiv chapter
* Added example implementation to equiv chapter

## Version 0.5.0 (2022-06-17)

* Added Merhad's Chapter on Hyperparameter optimization
* Removed permutation equivariance from equivariance chapter
* Finished irrep discussion in that chapter
* Started new chapter on modern molecule nets
* Removed pygraphviz
* Switched to rdkit

## Version 0.4.3 (2022-05-31)

* Increased standard figure size a bit
* Revised GNN intro

## Version 0.4.2 (2022-05-30)

* Doubled DPI on figures
* Revised GNN chapter to have discussion of future section
* Fixed long-standing emlp bug
* Improved logic on branch deploy

## Version 0.4.1 (2022-05-29)

* Add SchNet implementation
* Switched to three version scheme

## Version 0.3 (2022-05-28)

* Centered output figures
* Made github button open on github
* Add SchNet description to GNN

## Version 0.2 (2022-05-27)

* Put package onto pypi
* Revised fonts

## Version 0.1 (2022-05-26)

* First versioned released
* Added consistent style to plots
* Simplifed header
* Replaced logo
* Bumped to latest dependencies