Installation

The mlip library can be installed via pip:

pip install mlip

However, this command only installs the regular CPU version of JAX. We recommend that the library is run on GPU. Use this command instead to install the GPU-compatible version:

pip install "mlip[cuda]"

This command installs the CUDA 12 version of JAX. For different versions, please install mlip without the cuda flag and install the desired JAX version via pip.

Note that using the TPU version of JAX is, in principle, also supported by this library. You need to install it separately via pip. However, it has not been thoroughly tested and should therefore be considered an experimental feature.