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An introduction to machine learning in Python using ChemML, Numpy, Pandas, and Scikit-learn.

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ML_tutorial

An introduction to machine learning with Python using Numpy, Pandas, and ChemML. Presented at:

  • The Molecular Sciences Software Institute's Summer School at Texas Advanced Computing Center, Austin, TX, 2019
  • GSOFT Short Course: Machine Learning and Data Science in Soft Matter, Los Angeles, CA, 2018

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An introduction to machine learning in Python using ChemML, Numpy, Pandas, and Scikit-learn.

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