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grouptheory

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FGroupPy is a software tool that allows you to perform various operations and analyses on mathematical groups. It provides a Python class called Group that represents a group and offers a set of methods to work with groups, including checking group properties, finding subgroups, generating multiplication tables, identifying normal subgroups, etc.

  • Updated Jun 14, 2023
  • Python

Molecular framework structure could be described as a collection of discrete cage/pore shapes. Functionalisation to the structure creates a huge number of possible isomers. This code enumerates and identify all possible unique arrangement of functional groups in the 14 most common pore shapes created by ditopic (2-connected) linkers with the num…

  • Updated Jul 3, 2023
  • Python

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