Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.
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Adding sklearn Classification Models #35

Closed dickeygh closed 4 years ago

dickeygh commented 4 years ago

Is your feature request related to a problem? Please describe. Our models only use regression algorithms, not classification algorithms. My goal is to add classification algorithms to our models.

Describe the solution you'd like Add classification methods to our programs in order to make them more useful/encompassing.

Describe alternatives you've considered There are different potential classification algorithms that could be used, including K-Nearest Neighbors, Support Vector Machines, Decision Tree Classifiers/Random Forests, Naive Bayes, Linear Discriminant Analysis, and Logistic Regression.

Additional context https://stackabuse.com/overview-of-classification-methods-in-python-with-scikit-learn/ http://moleculenet.ai/datasets-1

Dlux804 commented 4 years ago

Good. You may want to consider breaking this into smaller chunks in multiple issues. Up to you @dickeygh