66 citations · 147 across the 6 of their papers we have counts for
4 papers · 1 filter
The Precursor Genome: A Pairwise Reaction Dataset for Solid-State Synthesis
Lauren N. Walters, Matthew J. McDermott, Bernardus Rendy +3
Solid-state reactions remain the dominant route to inorganic materials, yet no large, machine-readable dataset reports their experimental protocols and outcomes with consistent pro…
Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials
Matthew J. McDermott, Brennan C. McBride, Corlyn Regier +11
Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedure…
Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions
Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner +7
The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery,…
Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms
Matthew Horton, Jimmy-Xuan Shen, Jordan Burns +21
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way.…