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Christopher Gaul's Projects

machinelearning_acceptordonor icon machinelearning_acceptordonor

Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors

maltose icon maltose

Machine Learning Tailoring Organic Semiconductors

megnet icon megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

multires-graph-transformer icon multires-graph-transformer

Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Hierarchical Structures https://arxiv.org/pdf/2302.08647.pdf

schnetpack icon schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

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