| Name | Description | Contact | Last modified | ||
| CalcFragsContribution | Scaffold-lean development project based on decomposition to fragments shares of the total interaction energy | Nikita Ivanov | Sat, 08 Jul 2023 16:05:15 +0300 | zip gz bz2 | |
| atom_typer | Python/openbabel atom typer | Dmitry Shulga | Mon, 26 Feb 2024 11:33:33 +0300 | zip gz bz2 | |
| dSAS | Calculate dSAS using PyMol get_area for a ligand-receptor pair. | Arslan Shaimardanov <arslan.shaymardanov@qsar.chem.msu.ru> | Tue, 12 Dec 2023 09:33:56 +0300 | zip gz bz2 | |
| medchem_fragment_splitter | Split drug-like molecules into fragments meaningful for medicinal chemistry interpretation | Nikita Ivanov | Wed, 24 May 2023 13:38:10 +0300 | zip gz bz2 | |
| mep_pymol_plugin | PyMol plugin to visualize MEP based on ESP file | Dmitry Shulga | Fri, 26 Aug 2022 21:41:48 +0300 | zip gz bz2 | |
| python_DENR_charges | Python version of DENR and DENR+POL atomic charge calculators | Dmitry Shulga | Fri, 11 Aug 2023 12:39:11 +0300 | zip gz bz2 | |
| sf_fragment_correlation | Establish correlation of the presense of specific fragments in ligand to the Scoring Function residual errors | Dmitry Shulga <shulga@qsar.chem.msu.ru> | Tue, 08 Nov 2022 14:28:39 +0300 | zip gz bz2 |