Get 3D feature descriptors from PDB file

If reader is interested in drug discovery, chemoinformatics, deep learning or MD, I think the reader might read the article below. http://pubs.acs.org/doi/abs/10.1021/acs.jcim.7b00650 KDEEP is predictor that uses Deep learning(CNN) for affinity prediction. Regarding the article, I found the new python library named HTMD ( High Through Put Molecular Dynamics ). Really I am not goodContinue reading “Get 3D feature descriptors from PDB file”

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