What uses have Matlab and Maple in computational chemistry?

rpestana94 · 发表于 Post on 2021-2-17 23:03:53

Greetings, I use python to solve all my problems and automate some processes, analyze some data, and lately using machine learning algorithms, I usually see people using Matlab and is somehow recommended to learn, I want to know what I can do in Matlab that python can't do. Is worth learn Matlab? Which applications have Matlab in computational chemistry?

Also, I have seen Maple software, a mathematical software with a different approach than Matlab, It has an interesting quantum chemistry module (this is the link: https://www.maplesoft.com/products/toolboxes/quantumchemistry/), Do you think is worth it? I think Gaussian and Orca give the same information.

Thanks in advance.

sobereva · 发表于 Post on 2021-2-18 09:47:44

If you are familiar with Python, then learning matlab is never needed.

Currently I don't see there is any evident reason to use the quantum chemistry module in Maple.

rpestana94 · 发表于 Post on 2021-2-18 22:09:59

sobereva 发表于 2021-2-17 20:47
If you are familiar with Python, then learning matlab is never needed.

Currently I don't see ther ...

Thanks

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[Matlab/Maple/Mathematica] What uses have Matlab and Maple in computational chemistry?

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