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da2a9242bf
* initial support for pubchem-align3d * works, passes the tests * bump commit we are using * update readme * disable pubchem shape for limited depedencies build * comment from review * get windows dll builds working * stupid oversight * changes in response to review get rid of the "using namespace std" test that the alignment is re-entrant
190 B
190 B
This is a thin RDKit wrapper around pubchem-align3d, a shape-based alignment code written by the PubChem team.
The repo for pubchem-align3d is here: https://github.com/ncbi/pubchem-align3d/