/tools/drug-computing
drug-computing
MobleyLab/drug-computing
164 stars44 forksJupyter NotebookAdded February 4, 2026
summary
This repository offers educational materials for a course on drug discovery computing techniques, covering various topics such as molecular dynamics, docking, and solubility. It aims to provide both course-specific resources and broader educational content for the community.
description
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
topics
drug-discoverypythonmolecular-dynamicsmolecular-dynamics-simulationmonte-carlodockingligand-screeningsolubilityteaching-materialseducational-software
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