Welcome to MALADA’s documentation!¶

MALA Data Acquistion (MALADA)¶

Welcome to MALADA, the MALA Data Acquistion package. MALA is a python package for building and using neural networks in the context of materials science. It builds models that learn the local density of state (LDOS) from descriptor vectors on the grid, and uses it to calculate physical quantities of interest. MALADA assists in this endeavor by providing tools to generate the necessary data sets fast, reliably and reproducibly.

DISCLAIMER: MALADA is currently in its very early development stages. Please feel free to report any bug or oddity you encounter. A lot functionalities, especially those concerning automated execution of simulations are rudimentary, with interfaces expected to drastically change in the future. Also see the list of current limitations.