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Drug Computing ⭐ 131

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

Ml Ensemble Docking ⭐ 8

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

Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"

In silico platform to analize MD trajectories using metrics, clustering and machine&deep learning techniques

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