NeoChemSynthWave

Welcome to the NeoChemSynthWave project !!!

Installation

A standalone environment can be created using the git and conda commands as follows:

git clone https://github.com/neo-chem-synth-wave/ncsw.git

cd ncsw

conda env create -f environment.yaml

conda activate ncsw-env

The ncsw package can be installed using the pip command as follows:

pip install --no-build-isolation -e .

License Information

The contents of this repository are published under the MIT license. Please refer to individual references for more details regarding the license information of external resources utilized within this repository.

Contact

If you are interested in contributing to this repository by reporting bugs, suggesting improvements, or submitting feedback, feel free to use GitHub Issues.