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<h1> MolCRAFT Series for Drug Design </h1>
[](https://MolCRAFT-GenSI.github.io/)
[](https://drive.google.com/drive/folders/16KiwfMGUIk4a6mNU20GnUd0ah-mjNlhC?usp=share_link)
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Welcome to the official repository for the MolCRAFT series of projects! This series focuses on developing and improving deep learning models for **structure-based drug design (SBDD)** and **molecule optimization (SBMO)**. Our goal is to create molecules with high binding affinity and plausible 3D conformations.
This repository contains the source code for the following projects:
* [**MolCRAFT**: Structure-Based Drug Design in Continuous Parameter Space](https://arxiv.org/abs/2404.12141) (ICML'24)
* [**MolJO**: Empower Structure-Based Molecule Optimization with Gradient Guidance](https:…
