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    • ESP_DNN

      Public
      A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
      Python
      •
      Apache License 2.0
      •52•86•5•1•Updated Mar 2, 2023Mar 2, 2023

    • esp-surface-generator

      Public
      Generate electrostatic potential surfaces using the output from Astex's ESP_DNN method
      JavaScript
      •
      Apache License 2.0
      •5•8•0•0•Updated Jun 10, 2020Jun 10, 2020