mol-coma

August 20, 2025 ยท View on GitHub

  • Latest version: 2.1.0
  • Latest update: 20 August 2025

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: jonghwanc@hallym.ac.kr