Package Name | Access | Summary | Updated |
---|---|---|---|
denoptim | public | Package for de novo design and virtual screening of functional molecules of any kind. | 2024-01-09 |
autocompchem | public | Package for automation of computational chemistry tasks. | 2024-01-08 |
dnptools | public | Python utilities for working with DENOPTIM (https://github.com/denoptim-project/DENOPTIM) | 2023-06-18 |