QMOF Database

<p dir="ltr">This repository hosts the Quantum MOF (QMOF) Database. See the <a href="https://materialsproject.gitbook.io/materials-project-public-docs/methodology/mof-explorer/downloading-the-data" rel="noreferrer" target="_blank">corresponding documentation</a> for information on how to download other files and data.</p><p dir="ltr">If you use or wish to cite the QMOF Database, please refer to the following publications:</p><ul><li>A.S. Rosen, S.M. Iyer, D. Ray, Z. Yao, A. Aspuru-Guzik, L. Gagliardi, J.M. Notestein, R.Q. Snurr. "<a href="https://doi.org/10.1016/j.matt.2021.02.015" rel="noreferrer" target="_blank">Machine Learning the Quantum-Chemical Properties of Metal–Organic Frameworks for Accelerated Materials Discovery</a>", <i>Matter</i>, <b>4</b>, 1578-1597 (2021).</li><li>A.S. Rosen, V. Fung, P. Huck, C.T. O'Donnell, M.K. Horton, D.G. Truhlar, K.A. Persson, J.M. Notestein, R.Q. Snurr. "<a href="https://doi.org/10.1038/s41524-022-00796-6" rel="noreferrer" target="_blank">High-Throughput Predictions of Metal–Organic Framework Electronic Properties: Theoretical Challenges, Graph Neural Networks, and Data Exploration</a>," <i>npj Comput. Mat.</i>, <b>8</b>, 195 (2022).</li></ul><p></p>