Seeking library recommendation for 3D visualization of crystal structure

This page summarizes the projects mentioned and recommended in the original post on /r/Python

InfluxDB - Power Real-Time Data Analytics at Scale
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SaaSHub - Software Alternatives and Reviews
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  • pymol-open-source

    Open-source foundation of the user-sponsored PyMOL molecular visualization system.

  • Maybe I’m misunderstanding your request, but why not just use pymol? You can make sessions entirely programmatically with python which you can then open in the GUI.

  • pyvista

    3D plotting and mesh analysis through a streamlined interface for the Visualization Toolkit (VTK)

  • Two similar alternatives you could look at are PyVista which is based on the same framework as Mayavi and VisPy. Mayavi is strongly dependent on the whole Enthought suite which can be a disadvantage if you don’t really use its abilities.

  • InfluxDB

    Power Real-Time Data Analytics at Scale. Get real-time insights from all types of time series data with InfluxDB. Ingest, query, and analyze billions of data points in real-time with unbounded cardinality.

    InfluxDB logo
  • VisPy

    Main repository for Vispy

  • Two similar alternatives you could look at are PyVista which is based on the same framework as Mayavi and VisPy. Mayavi is strongly dependent on the whole Enthought suite which can be a disadvantage if you don’t really use its abilities.

  • awesome-python-chemistry

    A curated list of Python packages related to chemistry

  • Also I'd take a look through https://github.com/lmmentel/awesome-python-chemistry because I have a hard time believing this isn't a "solved problem" where you just need to find the right existing library.

  • 3Dmol.js

    WebGL accelerated JavaScript molecular graphics library

  • SaaSHub

    SaaSHub - Software Alternatives and Reviews. SaaSHub helps you find the best software and product alternatives

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NOTE: The number of mentions on this list indicates mentions on common posts plus user suggested alternatives. Hence, a higher number means a more popular project.

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