Yudhajit Pal

Using megnet for systems having atoms apart from "H", "C", "N", "O", "F"

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Is there a way to tinker with the code to work for systems with additional atoms like Cl, Br, and S. I am hoping to use MEGNet since it adds...

Hi, I was looking at the "Customized Graph Network Model" section of the documentation. I am trying to rework it into a custom model for my problem. I am getting...