pmapper
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3D pharmacophore signatures and fingerprints
Hi, Thanks for sharing the script and nice tutorial on how to generate pharmacophore models. Will it be possible to view (pymol or nglview) the generated pharmacophore models for analysis...
Hello I see a reference to a "psearch" functionality for high throughput pharmacophore screening, but can't seem to find it anywhere. Can that be shared? If not, what are the...
Hello, I see this method to compare two molecules, can we use this to do large-scale screening? (I don't know what the load_from_feature_coords means and why the output is a...