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Search results for machine learning protein ligand interactions

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6 search results found

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

Mmtf Pyspark ⭐ 64

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

Mmtf Workshop 2018 ⭐ 53

Structural Bioinformatics Training Workshop & Hackathon 2018

Physics Aware Multiplex Gnn ⭐ 35

Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"

Paccmann_kinase_binding_residues ⭐ 27

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

Mmtf Spark ⭐ 19

Methods for the parallel and distributed analysis and mining of the Protein Data Bank using MMTF and Apache Spark.

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