Materials for ML Workshops at ACS MARM: June 1-4, 2022
Day 1
Day 1 Notebook Intro
Initial Setup of Python Environment
Activity 1: Concepts with Linear Regression
Activity 2: Chemical Data Basics
Summary of Tasks
Activity 3: Fun with Neural Networks
Day 2
Activity 1: Working with molecular data
Activity 3: Implementing a graph convolutional neural network
Day 3
Day 3 Notebook: Module A Intro
Setup of Python Environment
Activity 1: Understanding Gaussian Process Regression
Team Activity: Active Learning Challenge
Tutorial

acsmarm

»
Index
Edit on GitHub

Index

© Copyright 2022, Michael Webb, Andrew D White. Last updated on True.

Built with Sphinx using a theme provided by Read the Docs.