9.7 Chemical Software Packages
Popular chemical software packages useful for processing molecular graphs are as follows:
- CACTVS: a chemical package in C++ with a TCL-based scripting interface that is free for academic use.
- Daylight: commercial software package that introduced smiles. It is ideal for chemical databases with very efficient subgraph and similarity capabilities and specialized indexing.
- BABEL/OpenBabel: open-source package for converting chemical files but also incorporates a lot of chemical algorithms such as aromaticity detection.
- OpenEyes: commercial package with Java interface and low-level support for most of the operations required by chemical databases and processing applications.
- Chemistry Development Kit  (CDK): open-source package implemented in Java, useful also as a reference point for understanding chemical algorithms.