mol-coma
- Latest version: 2.0.0
- Latest update: 10 October 2023
This repo is for the pypi project of COMA (contractive and margin losses for molecular generation).
The project can be found at here .
Scripts:
- Example scripts are available at here .
- These files are provided for reproducibility.
Citation
Choi, J., Seo, S. & Park, S. COMA: efficient structure-constrained molecular generation using contractive and margin losses. J Cheminform 15, 8 (2023). https://doi.org/10.1186/s13321-023-00679-y
Contact
email: mathcombio@yonsei.ac.kr
