JAXChem is a JAX-based deep learning library for complex and versatile chemical modelings.
We welcome to contribute any chemical modelings with JAX.
NOTE : This is a 2020 GSoC project with Open Chemistry. Please confirm the details from here.
JAXChem requires the following packages.
First, you have to install JAX. Please confirm how to install JAX here.
After installing JAX, please run the following commands.
// install jaxchem $ pip install git+https://github.com/deepchem/jaxchem
Please run the following commands.
$ git clone https://github.com/deepchem/jaxchem.git $ cd jaxchem $ docker build . -t jaxchem
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