FAIR Chemistry at Meta

company

https://opencatalystproject.org/

AI & ML interests

AI + Chemistry

mshuaibi

authored 2 papers 4 months ago

An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage

Paper • 2010.09435 • Published Oct 14, 2020

The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models

Paper • 2505.08762 • Published May 13 • 2

mshuaibi

authored 5 papers 11 months ago

The Open Catalyst 2020 (OC20) Dataset and Community Challenges

Paper • 2010.09990 • Published Oct 20, 2020

GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets

Paper • 2204.02782 • Published Apr 6, 2022 • 1

Spherical Channels for Modeling Atomic Interactions

Paper • 2206.14331 • Published Jun 29, 2022

AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning

Paper • 2211.16486 • Published Nov 29, 2022

Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models

Paper • 2410.12771 • Published Oct 16, 2024 • 7

mshuaibi

updated a Space 11 months ago

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