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foundry-ml/
foundry_osdb_v1-1

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	Data for: Ab initio control of zeolite synthesis and intergrowth with high-throughput simulations




	
	Dataset Information

Source: Foundry-ML DOI: 10.18126/c5z9-zej7 Year: 2021 Authors: Schwalbe-Koda, Daniel, Gómez-Bombarelli, Rafael Data Type: tabular

	Fields

Field Role Description Units

crystal_id input unique identifier associated with each pose. It is

Zeolite input IZA code of the zeolite

SMILES input SMILES string of the guest docked in the… See the full description on the dataset page: https://huggingface.co/datasets/foundry-ml/foundry_osdb_v1-1.