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.