Mercurial > repos > bgruening > enumerate_charges

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dir. test-data/ drwxr-xr-x
file dimorphite_dl.py 44837 -rw-r--r--
file enumerate_charges.xml 3351 -rw-r--r--
file rdkit_descriptors.py 2639 -rw-r--r--
file sdf_to_tab.py 2071 -rw-r--r--
file site_substructures.smarts 3532 -rw-r--r--