Commits

Commits on Aug 5, 2024

Added BindingDB patents
Patrick Walters
committedAug 5, 2024

Commits on Jul 30, 2024

updates to ChemProp notebooks
Patrick Walters
committedJul 30, 2024
added biogen_logS.csv
Patrick Walters
committedJul 30, 2024
initial add of ChemProp notebooks
Patrick Walters
committedJul 30, 2024
updates to patent_analysis.ipynb
Patrick Walters
committedJul 30, 2024
updates to patent_analysis.ipynb
Patrick Walters
committedJul 30, 2024
updates to patent_analysis.ipynb
Patrick Walters
committedJul 30, 2024
updates to patent_analysis.ipynb
Patrick Walters
committedJul 30, 2024

Commits on Jul 27, 2024

fixed text in patent_analysis.ipynb
Patrick Walters
committedJul 27, 2024
fixed text in patent_analysis.ipynb
Patrick Walters
committedJul 27, 2024
fixed text in patent_analysis.ipynb
Patrick Walters
committedJul 27, 2024
fixed typos in patent_analysis.ipynb
Patrick Walters
committedJul 27, 2024
patent notebook updates
Patrick Walters
committedJul 27, 2024
patent notebook updates
Patrick Walters
committedJul 27, 2024

Commits on Jul 26, 2024

added patent tutorial
Patrick Walters
committedJul 26, 2024

Commits on May 12, 2024

Added tautomer_energies.ipynb
Patrick Walters
committedMay 12, 2024
Added tautomer_energies.ipynb
Patrick Walters
committedMay 12, 2024
updates to tautomer_energies.ipynb
Patrick Walters
committedMay 12, 2024

Commits on May 11, 2024

added tautomer_energies.ipynb
Patrick Walters
committedMay 11, 2024

Commits on May 7, 2024

quick update to stereo_and_tautomers.ipynb
Patrick Walters
committedMay 7, 2024

Commits on Apr 29, 2024

updated classification_models.ipynb
Patrick Walters
committedApr 29, 2024
updated classification_models.ipynb
Patrick Walters
committedApr 29, 2024
Update README.md
PatWalters
committedApr 29, 2024
updated classification_model.ipynb
Patrick Walters
committedApr 29, 2024

Commits on Apr 28, 2024

cosmetic changes
Patrick Walters
committedApr 28, 2024
Add reactions, recursive SMARTS, and enumerating stereoisomers and tautomers
Patrick Walters
committedApr 28, 2024

Commits on Apr 17, 2024

updated README.md to accomdate the Enumerating Stereoisomers and Tautomers tutorial
Patrick Walters
committedApr 17, 2024
added stereo and tautomers
Patrick Walters
committedApr 17, 2024
added stereo and tautomers
Patrick Walters
committedApr 17, 2024

Commits on Apr 8, 2024

added pip installs for reaction notebooks
Patrick Walters
committedApr 8, 2024
updated images and datafiles to hyperlinks
Patrick Walters
committedApr 8, 2024
added reactions
Patrick Walters
committedApr 8, 2024

Commits on Apr 7, 2024

Update README.md
PatWalters
committedApr 7, 2024

Commits on Mar 29, 2024

fixed issue #10 , sparse was renamed to sparse_output
Patrick Walters
committedMar 29, 2024

Commits on Mar 28, 2024

updated modAL install
Patrick Walters
committedMar 28, 2024