Probabilistic Inference for NOvel Therapeutics
pip install .
pip install -r requirements.txt
Note that we support both RDKit and OpenEye for chemoinformatics modeling.
To install RDKit: conda install -c conda-forge rdkit.
This package is licensed under MIT license.
Copyright (c) 2020, Chodera Lab @ Memorial Sloan Kettering Cancer Center and Authors. Authors:
- Yuanqing Wang
- Michael Retchin
- Duc Nguyen
- Theofanis Karaletsos
- Josh Fass
- John D. Chodera