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Machine Learning in Chemistry: Ligand-Protein Interactions and Drug Design
OLOREN CHEMENGINE (OCE) IS AN OPEN-SOURCE PYTHON SOFTWARE PACKAGE DEVELOPED BY OLOREN AI FOR BUILDING AND USING MOLECULAR PROPERTY PREDICTORS. OCE IMPLEMENTS CURRENT STATE-OF-ART METHODS SUCH AS MESSAGE PASSING NEURAL NETWORKS, GRAPH NEURAL NETWORKS, AND MOLECULAR FINGERPRINTS…
While developments in algorithm and hardware are enabling longer time scale molecular dynamics simulations, the accuracy of these simulations can be limited by the quality of the underlying force field potential…
While developments in algorithm and hardware are enabling longer time scale molecular dynamics simulations, the accuracy of these simulations can be limited by the quality of the underlying force field potential…