MX - Essential Cheminformatics
 
Website:      http://metamolecular.com/mx
Source Repo:  http://github.com/metamolecular/mx
 
MX is a library of essential cheminformatics models and routines. It was created
with the goal of providing a clean, well-tested platform for chemistry
applications.
 
Features:
 
- Substructure search and atom mapping based on the VF algorithm
- Exhaustive ring perception based on the Hanser algorithm
- Flexible query atom support
- Flexible generation of path-based binary fingerprints
- Depth-First traversal
- Implicit hydrogen detection
- Complete system of atomic masses and isotopes based on the IUPAC Technical
  Report.
- Model objects (Molecule, Atom, Bond, Superatom) based on MDL CTfile
  specification
- Molfile/SDFile reader and writer
 
Language:
 
MX is written in Java and has been used with Scala in addition to Ruby and Python
through the JRuby and Jython interpreters.
 
Dependencies:
 
-  JDK 1.5 or higher
-  Ant (to compile and run tests)
 
License:
 
MX is distributed under the MIT license. See the LICENSE file for details.
 
Contributors:
 
Richard L. Apodaca        http://depth-first.com
Duan Lian                 http://chemhack.com
Fredrik Wallner           http://www.wallner.nu/fredrik
John Jaeger               http://goeslightly.blogspot.com/
Syed Asad Rahman          http://www.ebi.ac.uk/~asad/Asad.html
 
History:
 
MX was factored out of ChemWriter, the 2D chemical structure editor developed
by Metamolecular, LLC (http://metamolecular.com).