Changelog

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