Publication | Open Access
A database of molecular properties integrated in the Materials Project
24
Citations
61
References
2023
Year
EngineeringMolecular BiologyComputational ChemistryChemistryMolecular GraphicMolecular ComputingMolecular DesignNew InfrastructureData IntegrationWeb AppSmall Molecule LibraryBiophysicsMaterials ScienceMolecular MaterialPhysical ChemistryMaterials ProjectNatural SciencesMolecular PropertyMolecule-based Material
A new infrastructure for computed molecular properties, including a web app and API, is incorporated into the Materials Project, enabling the creation of a database currently containing over 170 000 molecules.
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