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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