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ICAMCYL
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schnetpack
schnetpack PublicForked from atomistic-machine-learning/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
Python
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megnet
megnet PublicForked from materialsvirtuallab/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Jupyter Notebook
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MachineLearning_AcceptorDonor
MachineLearning_AcceptorDonor PublicForked from marcosdelcueto/MachineLearning_AcceptorDonor
Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors
Python
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Multires-Graph-Transformer
Multires-Graph-Transformer PublicForked from HySonLab/Multires-Graph-Transformer
Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Hierarchical Structures https://arxiv.org/pdf/2302.08647.pdf
Python
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