5 Repositories
Latest Python 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
Datamol is a python library to work with molecules.
Datamol is a python library to work with molecules. It's a layer built on top of RDKit and aims to be as light as possible.
276 Dec 19, 2022
Datamol is a python library to work with molecules
Datamol is a python library to work with molecules. It's a layer built on top of RDKit and aims to be as light as possible.
276 Dec 19, 2022
This package is a python library with tools for the Molecular Simulation - Software Gromos.
This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.
14 Sep 28, 2022
Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
Molecular Docking integrated in Jupyter Notebooks Description | Citation | Installation | Examples | Limitations | License Table of content Descriptio
173 Dec 25, 2022