AstexUK
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esp-surface-generator
esp-surface-generator PublicGenerate electrostatic potential surfaces using the output from Astex's ESP_DNN method
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- ESP_DNN Public
A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
AstexUK/ESP_DNN’s past year of commit activity - esp-surface-generator Public
Generate electrostatic potential surfaces using the output from Astex's ESP_DNN method
AstexUK/esp-surface-generator’s past year of commit activity
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