rdkit online with Winfy

We have hosted the application rdkit in order to run this application in our online workstations with Wine or directly.


Quick description about rdkit:

A collection of cheminformatics and machine-learning software written in C++ and Python.

NOTE: the RDKit source code and downloads are now in github: https: //github.com/rdkit/rdkit

The core algorithms and data structures are written in C++. Wrappers are provided to use the toolkit from either Python or Java.

Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and similarity searches.

Audience: Science/Research, Advanced End Users, Developers.

Programming Language: Python, C++, Java.
Database Environment: PostgreSQL (pgsql).

Categories:
Molecular Science, Chemistry

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