Search Results for author: Martin Hangaard Hansen

Found 2 papers, 2 papers with code

Autoencoding Undirected Molecular Graphs With Neural Networks

1 code implementation • 26 Nov 2019 • Jeppe Johan Waarkjær Olsen, Peter Ebert Christensen, Martin Hangaard Hansen, Alexander Rosenberg Johansen

to fitting the QM9 dataset, which conforms to the octet rule, and to fitting the ZINC dataset, which contains hypervalent molecules and ions requiring the model to learn a more complex structure rule.

Language Modelling

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Code

An Atomistic Machine Learning Package for Surface Science and Catalysis

1 code implementation • 1 Apr 2019 • Martin Hangaard Hansen, José A. Garrido Torres, Paul C. Jennings, ZiYun Wang, Jacob R. Boes, Osman G. Mamun, Thomas Bligaard

We present work flows and a software module for machine learning model building in surface science and heterogeneous catalysis.

Active Learning BIG-bench Machine Learning

Paper
Code

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