Welcome to the NeoChemSynthWave project !!!
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-envThe ncsw package can be installed using the pip command as follows:
pip install --no-build-isolation -e .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.
If you are interested in contributing to this repository by reporting bugs, suggesting improvements, or submitting feedback, feel free to use GitHub Issues.