By Changelog
Contents
22. Changelog¶
22.1. Version 1.1.0 (2022-07-05)¶
Added more information on stereochemistry
Added autoplayer for mp4s
22.2. Version 1.0.0 (2022-07-01)¶
Livecommsj release
22.3. Version 0.5.1 (2022-06-20)¶
Added SymPy
Added description of nonlinearity to equiv chapter
Added example implementation to equiv chapter
22.4. 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
22.5. Version 0.4.3 (2022-05-31)¶
Increased standard figure size a bit
Revised GNN intro
22.6. 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
22.7. Version 0.4.1 (2022-05-29)¶
Add SchNet implementation
Switched to three version scheme
22.8. Version 0.3 (2022-05-28)¶
Centered output figures
Made github button open on github
Add SchNet description to GNN
22.9. Version 0.2 (2022-05-27)¶
Put package onto pypi
Revised fonts
22.10. Version 0.1 (2022-05-26)¶
First versioned released
Added consistent style to plots
Simplifed header
Replaced logo
Bumped to latest dependencies