Installation

TorchANI requires the latest preview version of PyTorch.

Please see PyTorch’s official site for instructions of installing latest preview version of PyTorch.

Note that if you updated TorchANI, you may also need to update PyTorch.

After installing the correct PyTorch, you can install TorchANI by pip or conda:

pip install torchani

or

conda install -c conda-forge torchani

See https://github.com/conda-forge/torchani-feedstock for more information about the conda package.