Training and test datasets used for building graph convolutional deep neural network model for prediction molecular electrostatic surfaces
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资源简介:
The model build using these datasets can be found at https://github.com/AstexUK/ESP_DNN/tree/master/esp_dnnThe dataset themselves can be opened using xarray Python library (http://xarray.pydata.org/en/stable/#)
创建时间:
2019-09-05



