Changelog
Contents
21. Changelog¶
21.1. Version 0.5.1 (2022-06-20)¶
Added SymPy
Added description of nonlinearity to equiv chapter
Added example implementation to equiv chapter
21.2. 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
21.3. Version 0.4.3 (2022-05-31)¶
Increased standard figure size a bit
Revised GNN intro
21.4. 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
21.5. Version 0.4.1 (2022-05-29)¶
Add SchNet implementation
Switched to three version scheme
21.6. Version 0.3 (2022-05-28)¶
Centered output figures
Made github button open on github
Add SchNet description to GNN
21.7. Version 0.2 (2022-05-27)¶
Put package onto pypi
Revised fonts
21.8. Version 0.1 (2022-05-26)¶
First versioned released
Added consistent style to plots
Simplifed header
Replaced logo
Bumped to latest dependencies