maml (conda): maml (MAterials Machine Learning) is a Python package that aims to provide useful high-level interfaces that make ML for materials science as easy as possible. The goal of maml is not to duplicate functionality already available in other packages. maml relies on well-established packages such as scikit-learn and tensorflow for implementations of ML algorithms, as well as other materials science packages such as pymatgen and matminer for crystal/ molecule manipulation and feature generation.
Keywords: deep-learning|machine-learning|machine-learning-force-field|materials-discovery|materials-science|spectroscopy