Installation¶
pip installation¶
JAXChem requires the following packages.
JAX (jax==0.1.69, jaxlib==0.1.47)
Haiku (==0.0.1)
typing-extensions (>=3.7.4)
First, you have to install JAX. Please confirm how to install JAX from here.
After installing JAX, please run the following commands.
// install jaxchem
$ pip install git+https://github.com/deepchem/jaxchem
docker installation¶
Please run the following commands.
$ git clone https://github.com/deepchem/jaxchem.git
$ cd jaxchem
$ docker build . -t jaxchem