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Quickstart & Installation

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OCP API & Demo

Released Datasets & Models

Open Catalyst 2020 (OC20)
Open Catalyst 2022 (OC22)
Open Direct Air Capture 2023 (ODAC23)
Open Catalyst 2020 Dense (OC20Dense)
Open Catalyst 2020 Nudged Elastic Band (OC20NEB)
Open Materials 2024 (OMat24)
Open Catalyst Experiments 2024 (OCx24): Bridging Experiments and Computational Models
Pretrained FAIRChem 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