Installing

TorchANI requires PyTorch. Please see PyTorch’s official site for instructions of installing PyTorch. Note that if you updated TorchANI, you may also need to update PyTorch. After installing the correct PyTorch, you can install TorchANI using pip or conda:

pip install torchani

or

conda install -c conda-forge torchani

See conda-forge/torchani-feedstock for more information about the conda package.