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Tmqm dataset─quantum geometries and properties of 86k transition metal complexes, The application of machine learning approaches to meaningful problems in chemistry and materials science is still challenged by the limited availability of data. This paper contributes to the data modelling effort via the introduction of the transition metal quantum mechanics rdf tmqmrdf dataset, a knowledge graph constructed using the resource description framework rdf vocabulary which collects rich and detailed descriptions of approximately 50k tmcs. Tmqmg data set excited state properties of 74k transition metal. Tmqm datasetquantum geometries and properties of 86k, Tmqmrdf dataset a knowledge graph representing transition metal.

The Transition Metal Quantum Mechanics Dataset Tmqm Contains The Geometries And Properties Of A Chemical Compound Space Comprising 86,665 Mononuclear Complexes Extracted From The Cambridge Structural Database.

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Tmqm Is Comprised Of 86,665 Mononuclear Complexes Extracted From The Cambridge Structural Database, Including Werner, Bioinorganic.

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We Report The Transition Metal Quantum Mechanics Dataset Tmqm, Which Contains The Geometries And Properties Of A Large Transition Metalorganic Compound Space.

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