Our Shape-it software tool has been incorporated into the RDKit suite
Thanks to the excellent work of Greg Landrum and Iwatobipen, our Shape-it screening tool has now been ported into the RDKit suite of chemo-informatics tools.
Thanks to the excellent work of Greg Landrum and Iwatobipen, our Shape-it screening tool has now been ported into the RDKit suite of chemo-informatics tools.