Metadata-Version: 2.1
Name: mol-coma
Version: 2.0.0
Summary: 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
Home-page: https://github.com/mathcom/mol-coma
Author: Jonghwan Choi
Author-email: jonghwanc@hallym.ac.kr
Keywords: coma,mol-coma
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
License-File: LICENSE
Requires-Dist: numpy >=1.19.5
Requires-Dist: scikit-learn >=0.20.0
Requires-Dist: rdkit >=2022.3.3
Requires-Dist: torch >=1.10.1
Requires-Dist: jupyter >=1.0.0
Requires-Dist: scipy >=1.5.3
Requires-Dist: networkx >=2.3
Requires-Dist: pandas >=1.1.5
Requires-Dist: tqdm >=4.64.0
Requires-Dist: requests >=2.28.0
Requires-Dist: matplotlib >=3.3.4
Requires-Dist: seaborn >=0.11.2

