Legacy [deprecated] Tutorials

As part of the NeurIPS 2021 Climate Change AI Workshop, a comprehensive, interactive Google-Colab tutorial notebook can be found here. This notebook is designed for those new to OC20 and interested in how to get started. Topics include:

• Background

• Software Requirements

• Dataset overview & Visualization

• OCP Tasks - Train, Validate, Predict

  • IS2RE

  • S2EF

  • IS2RS

• OCP Calculator

• Model Development

Additionally, we provide several Jupyter notebooks:

• Open Catalyst Project Tutorial Notebook
• Climate Impact
• Target Audience
• Background & Prerequisites
• Software Requirements
• Dataset Overview
• Tasks
• Model development
• (Optional) OCP Calculator
• (Optional) Creating your own LMDBs for use in the OCP repository
• Running on command line [Preferred way to train models]
• Limitations
• Next Steps
• References
• OCP Data Preprocessing Tutorial
• Generate toy dataset: Relaxation of CO on Cu
• Convert Atoms object to Data object
• Adding additional info to your Data objects
• OCP Data Visualization
• Understanding the data