Easy access to research code.
Project description
Purpose
We care about fundamental properties of chemical space and their connection to quantum alchemy for molecules and materials. This repository collects the core algorithms once they are somewhat finalized.
- Library use: This code is meant to be used as a library from other projects and therefore is cleaned up and documented.
- Supported: Unlike the research project repositories (which are frozen in time), we provide bug fixes for this library.
Installation
The python package is available via pip:
pip install --upgrade nablachem
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