[!WARNING]
This qdk.chemistry package is deprecated. Please see Azure Quantum Elements for Azure Quantum's latest efforts in chemistry.
Q# chemistry library's Python application layer, contains tools for creating 2D molecular diagrams and calculating their 3D geometry using RDKit.
We recommend installing Anaconda or Miniconda.
First, install RDKit:
conda install -c conda-forge rdkit
To install the qdk package, run
pip install qdk
To install the package in development mode, we recommend creating a new environment using the following command:
# Create new conda environment
conda env create -f qdk/environment.yml
Then, the package can be installed after activating the environment:
# Activate conda environment
conda activate qdk
# Install package in development mode
pip install -e qdk
FAQs
Quantum Development Kit
We found that qdk demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 3 open source maintainers collaborating on the project.
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