cuik_molmaker
C++/python module for featurizing molecules
C++/python module for featurizing molecules
To install this package, run one of the following:
cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effectively used as inputs for deep learning models, particularly graph neural networks (GNNs).
Summary
C++/python module for featurizing molecules
Last Updated
Dec 10, 2025 at 17:17
License
Apache-2.0
Supported Platforms
GitHub Repository
https://github.com/NVIDIA-Digital-Bio/cuik-molmaker