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FAIR Chemistry

@OpenCatalyst • 2,828 subscribers

AI for chemistry and material science @AIatMeta. Previously known as Open Catalyst Project.

Shorts

Introducing fairchem - our revamped codebase consolidating our AI modeling efforts in chemistry and materials science. fairchem makes it easy to interface with our data, models, demos, and applications - including an easy to use ASE calculator:

Introducing fairchem - our revamped codebase consolidating our AI modeling efforts in chemistry and materials science. fairchem makes it easy to interface with our data, models, demos, and applications - including an easy to use ASE calculator:

21,821 просмотров

We’re releasing a demo for calculating adsorption energies using Open Catalyst models. You can pick a catalyst and an adsorbate, and it enumerates starting configurations to run structural relaxations from to find the global energy minimum.

We’re releasing a demo for calculating adsorption energies using Open Catalyst models. You can pick a catalyst and an adsorbate, and it enumerates starting configurations to run structural relaxations from to find the global energy minimum.

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Today, we're releasing ocpapi, a python client for accessing the API powering the Open Catalyst Demo.

Today, we're releasing ocpapi, a python client for accessing the API powering the Open Catalyst Demo.

58,110 просмотров • 2 лет назад

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