Justin S. Smith,
Benjamin Nebgen,
Nithin Mathew,
Jie Chen,
Nicholas Lubbers,
Leonid Burakovsky,
Sergei Tretiak,
Hai Ah Nam,
Timothy Germann,
Saryu Fensin,
Kipton Barros,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
Approximately 2800 configurations from a train dataset–one of a pair of train/test datasets of aluminum in crystal and melt phases, used for training and testing an ANI neural network model.