mirror of
https://github.com/rdkit/rdkit.git
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ec5a172886
* Exploration * Initial work on GA fro Rgroup Symmetry * GA for rgroup decomp and fingerprint rgroup symmetry scoring * Continuing development * Exploration * Initial work on GA fro Rgroup Symmetry * GA for rgroup decomp and fingerprint rgroup symmetry scoring * Continuing development * Further development * Continued tweaks * Function rename * Continued tweaks * Bug fix for variance calculation * Copyright notices. Remove Eigen dependency. RdKit logging. Clock fix. * Changes to fix build failures * Fixes for Windows dynamic DLL build * Included GA export.h file * Fixed RGroupDecomp CMakeLists.txt * Notebooks working, GGroup labelling bug fixed * Fix windows build. More options for example GA program * More bugs found and tests adjusted * Fixed Python rgroup test * Trivial change to trigger CI * OSX java and windows build fixes * Windows DLL fix * Fix segmentation error * proposed change * Possible fix for segmentation fault * CR fixes * CR fixes * CR fixes * Recreates molecules from rgroups where possible Co-authored-by: greg landrum <greg.landrum@gmail.com> Co-authored-by: Brian Kelley <fustigator@gmail.com>
8 lines
190 B
CMake
8 lines
190 B
CMake
add_subdirectory(INCHI-API)
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add_subdirectory(AvalonTools)
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add_subdirectory(FreeSASA)
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add_subdirectory(CoordGen)
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add_subdirectory(YAeHMOP)
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add_subdirectory(RingFamilies)
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add_subdirectory(GA)
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