Package Name | Access | Summary | Updated |
---|---|---|---|
autocompchem | public | Package for automation of computational chemistry tasks. | 2025-08-12 |
denoptim | public | Package for de novo design and virtual screening of functional molecules of any kind. | 2025-05-20 |
dnptools | public | Python utilities for working with DENOPTIM (https://github.com/denoptim-project/DENOPTIM) | 2025-03-25 |