Welcome to deepmol’s documentation!

Contents:

• Introduction
• Installation
  • Pip
  • Manually
• Load a dataset from a CSV file
• Compound Standardization
• Compound Featurization
• Feature Selection
• Unsupervised Learning
• Data Split
• Supervised Learning
  • Scikit-Learn model example
  • Keras model example
  • DeepChem model example
  • Hyperparameter Optimization
• Feature Importance
  • Draw relevant features
• Unbalanced Datasets
• About us
• Related publications
• src
  • deepmol package

Indices and tables

• Module Index

• Search Page