/tools/LobsterPy
LobsterPy
JaGeo/LobsterPy
summary
LobsterPy is a Python package that automates the analysis of bonding information from LOBSTER outputs, providing features for machine learning studies. It allows users to generate plots and summaries of chemical bonding, making it a useful tool in computational materials science.
description
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
topics
computational-chemistryplottingchemical-bondingmaterials-informaticspythoncomputational-materials-science
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