A cheminformatic SQLite database extension.
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cmake/Modules
conda
docs
examples
test
.gitignore
CMakeLists.txt
LICENSE
README.rst
bfp_ops.c
bfp_ops.h
bitstring.c
bitstring.h
chemicalite.c
chemicalite.h
molecule.c
molecule.h
rdkit_adapter.cpp
rdkit_adapter.h
rdtree.c
rdtree.h
utils.h

README.rst

ChemicaLite

A cheminformatic SQLite database extension. Store molecules and fingerprints, compute descriptors, run chemical queries on a chemical database.