This project forked from aiqm/aimnet
Atoms In Molecules Neural Network Potential
License: MIT License
This repository contains reference AIMNet implementation along with some examples and menchmarks
Accurate and transferable multitask prediction of chemical properties with an atoms-in-molecules neural network
Roman Zubatyuk, Justin S. Smith, Jerzy Leszczynski, Olexandr Isayev Science Advances 2019: Vol. 5, no. 8, eaav6490 DOI: 10.1126/sciadv.aav6490
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