There has been huge progress in the open cheminformatics field in both methods and software development. Unfortunately, there has been little effort to unite those methods and software into one package.Source text:(Wojcikowski et al., 2015) Open Drug Discovery Toolkit (ODDT): a…
Click2Drug
Data

Click2Drug

Contains a comprehensive list of computer-aided drug design (CADD) software,…

Contains a comprehensive list of computer-aided drug design (CADD) software, databases and web services. Click2Drug classifies tools according to their application field, trying to cover the whole…

RDKit
Desktop

RDKit

Provides tools for cheminformatics, computational chemistry, and predictive…

Provides tools for cheminformatics, computational chemistry, and predictive modeling. RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. RDKit provides…

Open Babel
Desktop

Open Babel

An open source chemistry toolbox. Open Babel is a chemical toolbox designed to…

An open source chemistry toolbox. Open Babel is a chemical toolbox designed to speak the many languages of chemical data. Open Babel version 2.3 interconverts over 110 formats. It's an open,…

CADDSuite
Desktop

CADDSuite

A flexible and open workflow-enabled framework for computer-aided drug design.

A flexible and open workflow-enabled framework for computer-aided drug design.

Drugster
Desktop

Drugster

Features a novel workflow that guides the user through each logical step of the…

Features a novel workflow that guides the user through each logical step of the iterative 3D structural optimization setup and drug design process, by providing a seamless interface to all…

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