Tree2C converts the machine learning models, in particular the classification trees, to source code, which can be used directly in VEGA ZZ or integrated in your program. The resulting code requires no or very limited modifications to be used. The program can recognize several molecular attributes/descriptors (especially those that are calculated by VEGA ZZ and MOPAC 2016) and it can add automatically the code to calculate them. Moreover, Tree2C can generate code also for the domain property check, which is a very useful feature to evaluate the confidence of the classification results. In addition, the program can build the code for different targets to be integrated in a pre-existing program:
- as generic C file with separated header;
- as monolithic header file;
- as C source code to build a dynamic link library for Windows (DLL), exporting the functions to call;
- as C-script to be used in VEGA ZZ program. When you run the resulting script, if the VEGA ZZ workspace is showing a structure, the classification is performed for the current molecule, otherwise a file requester is opened to select an input database of molecules. In this second case, the classification is performed for all molecules of the database.
- as C++ class with separated header;
- as Fortran 90 module;
- as Java class;
- as JScript pseudo-class;
- as Lua class;
- as PHP class in a single file;
- as Python 3 class module;
- as REBOL class;
- as VBScript class.
Click here to download the program.