awesome-python-chemistry
A curated list of Python packages related to chemistry (by lmmentel)
VisPy
Main repository for Vispy (by vispy)
awesome-python-chemistry | VisPy | |
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2 | 4 | |
1,028 | 3,225 | |
- | 0.8% | |
4.9 | 8.6 | |
about 2 months ago | 24 days ago | |
Python | ||
GNU General Public License v3.0 or later | GNU General Public License v3.0 or later |
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
awesome-python-chemistry
Posts with mentions or reviews of awesome-python-chemistry.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2022-11-06.
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Seeking library recommendation for 3D visualization of crystal structure
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.
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HELP ME FIND MOLECULAR OUTLIERS USING PYTHON (pandas)
This list of packages is probably a good place to start. It's a little unclear what your dataset looks like but at a guess you're going to need to parse molecular formulas and perhaps structures (you'll need to convert those into some machine-readable format like InChI). Sounds like you also need to consider molecular weight so you'll need a mass calculator if you don't have those values; you could build your own or leverage one of many available.
VisPy
Posts with mentions or reviews of VisPy.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2023-12-25.
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Mastering Matplotlib: A Step-by-Step Tutorial for Beginners
VisPy - High-performance scientific visualization based on OpenGL.
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Top 10 growing data visualization libraries in Python in 2023
Github: https://github.com/vispy/vispy
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Seeking library recommendation for 3D visualization of crystal structure
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.
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Show HN: MPL Plotter – Python library to make technical plots more efficiently
2. I recommend Datashader (https://datashader.org/) (HoloViz is super cool) and Vispy (https://vispy.org/). I found Vispy's documentation a bit lacking some time ago, but they probably have improved it since then, and it's very capable. Lastly, check Taichi (https://taichi.graphics/), might not be a conventional data representation library (or rather, not only), but it's amazing and worth a look.
To add some more depth to the Seaborn comparison, and not being an expert Seaborn user, I'd say:
1. MPL Plotter is lighter (but also with less wide-ranging plot options)