LobsterPy documentation

Date: Apr 22, 2024

Useful links: Github Repository | PyPI | Issues & Ideas |

LobsterPy is a package that enables automatic analysis of LOBTSER outputs to get summarized bonding information and relevant bond plots. Additionally, one can also generate features for machine learning studies from LOBSTER outputs.

Fundamental Aspects

This guide contains a detailed explanation of the key functionalites on which LobsterPy automatic analysis is based on.

User Guide

This guide provides in-depth information for getting started and tutorials for LobsterPy.

LOBSTER Workflow

Here you can find how to use our completely automated workflow to perform bonding analysis with LOBSTER and Lobsterpy via atomate2.

Developer guide

Do you want contribute or improve existing functionalities? Check out the developer guide.