The aim of aviary is to contain multiple models for materials discovery under a common interface, over time we hope to add more models with a particular focus on coordinate-free deep learning models.
CSPML is a unique methodology for the crystal structure prediction (CSP) that relies on a machine learning algorithm (binary classification neural network model). CSPML predicts a stable structure for any given query composition, by automatically selecting from a crystal structure database a set…
Semiconducting Materials from Analogy and Chemical Theory (SMACT) is a collection of rapid screening and informatics tools that uses data about chemical elements.