Installation ============ The installation of TorchANI is very simple. You just need to clone the git repository and do ``pip install .`` like when you install other software. But keep in mind that TorchANI requires master branch of PyTorch. If you do not have master branch PyTorch installed, you should install it before installing TorchANI. Refer to PyTorch's `official instruction`_ to compile install PyTorch. .. _official instruction: https://github.com/pytorch/pytorch#from-source