2 Repositories
Python chemoinformatics Libraries
Interactive chemical viewer for 2D structures of small molecules
👀 mols2grid mols2grid is an interactive chemical viewer for 2D structures of small molecules, based on RDKit. ➡️ Try the demo notebook on Google Cola
154 Dec 26, 2022
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
DockStream Description DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution an
72 Jan 2, 2023