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This repo contains the code for training language models based on SMILES strings to represent adsorption structures. This work employs the Open Catalyst OC20 dataset.

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Representing Adsorption with SMILES

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This repo contains the code for training language models based on SMILES strings to represent adsorption structures. This work employs the Open Catalyst OC20 dataset.

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This project is licensed under the MIT License.

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This repo contains the code for training language models based on SMILES strings to represent adsorption structures. This work employs the Open Catalyst OC20 dataset.

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