/tools/intro-smolecules-design
intro-smolecules-design
oxpig/intro-smolecules-design
10 stars1 forksJupyter NotebookAdded February 5, 2026
summary
This repository provides an introduction to small molecule drug design using structure-based techniques and interactive Jupyter notebooks. It covers ligand-based analysis, generative design with REINVENT4, and docking to analyze interactions with the Zika virus protease.
description
An introduction to small molecule drug design with practicals
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