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ESP_DNN
ESP_DNN PublicForked from AstexUK/ESP_DNN
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
Python
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espsim
espsim PublicForked from hesther/espsim
Scoring of shape and ESP similarity with RDKit
Jupyter Notebook
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resources
resources PublicForked from duartegroup/resources
References, presentations and other resources
Python
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