• Source: RDKit

RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an application programming interface (API) for Python, Java, C++, and C#.




References






External links


Official website
Rdkit on GitHub

Kata Kunci Pencarian:

• RDKit
• Simplified Molecular Input Line Entry System
• Molecular descriptor
• List of cheminformatics toolkits
• Comparison of software for molecular mechanics modeling
• Glide (docking)
• SAMSON