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Quickstart & Installation

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OCP API & Demo

Released Datasets & Models

Making your own datasets

Model development, training, inference, finetuning

Catalysis Case Studies & Tutorials

Intro and background on OCP and DFT
Simple simulations using the OCP ASE calculator
AdsorbML tutorial
CatTSunami Tutorial
Tutorial for using Fair Chemistry models to relax NEBs
Screening catalysts with OCP
- Using OCP to enumerate adsorbates on alloy catalyst surfaces
Advanced OCP usage
- Fine-tuning with Python
- Working with embeddings
Legacy [deprecated] Tutorials

fairchem documentation

Notebook execution times

data

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Contents

By FAIR Chemistry & Collaborators