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AisNet

Requirements:
  • python 3
  • ASE
  • numpy
  • PyTorch (>=0.4.1)
  • h5py
  • schnetpack (3.19)

Note: We recommend using a GPU for training the neural networks.

Installation

Install requirements

cd ./pack/schnetpack
pip install -r requirements.txt

Install Pack

pip install .

Getting started

The example scripts had been provided in ./script

Cu example

First train the Encoding module, please call:

cd ./script
python Cu_encoding_train.py

Put the folder obtained after training in the same directory and continue to call:

python Cu_example.py

The full AisNet will be trained.