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5 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.

Pharmaconet ⭐ 14

Official Github for "PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling" (NeurIPS 2023 Workshop)

Ml Ensemble Docking ⭐ 8

Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning

Sars Cov Mpro ⭐ 5

QSAR models and putative agents identified against SARS-CoV-2

Pria Ams Enamine ⭐ 5

Virtual screening on PriA-SSB with the AMS and Enamine REAL libraries

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