Topic: proteochemometrics Goto Github
Some thing interesting about proteochemometrics
Some thing interesting about proteochemometrics
proteochemometrics,Predicts the dissociation coefficients between drug-protein (target) pairs using molecular fingerprints and physicochemical protein properties.
User: brendan-p-moore
proteochemometrics,Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
Organization: cddleiden
proteochemometrics,Write reproducible code for getting and processing ChEMBL
User: cthoyt
Home Page: https://chembl-downloader.readthedocs.io
proteochemometrics,My personal website, served at https://cthoyt.com
User: cthoyt
Home Page: https://cthoyt.com/
proteochemometrics,HyperPCM: Robust task-conditioned modeling of drug-target interactions
Organization: ml-jku
proteochemometrics,Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pubs.acs.org/doi/10.1021/acs.jcim.1c00889
Organization: paccmann
proteochemometrics,PyTorch implementation of bimodal neural networks for drug-cell (pharmarcogenomics) and drug-protein (proteochemometrics) interaction prediction
Organization: paccmann
proteochemometrics,Code for paper on automation of discovery and synthesis of targeted molecules: https://iopscience.iop.org/article/10.1088/2632-2153/abe808
Organization: paccmann
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