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  1. ESP_DNN ESP_DNN Public

    A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces

    Python 85 51

  2. esp-surface-generator esp-surface-generator Public

    Generate electrostatic potential surfaces using the output from Astex's ESP_DNN method

    JavaScript 7 5

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Showing 2 of 2 repositories
  • ESP_DNN Public

    A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces

    AstexUK/ESP_DNN’s past year of commit activity
    Python 85 Apache-2.0 51 5 1 Updated Mar 2, 2023
  • 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
    JavaScript 7 Apache-2.0 5 0 0 Updated Jun 10, 2020

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