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README.md
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<div align='center'>
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<h1> MolCRAFT Series for Drug Design </h1>
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[](https://MolCRAFT-GenSI.github.io/)
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[](https://drive.google.com/drive/folders/16KiwfMGUIk4a6mNU20GnUd0ah-mjNlhC?usp=share_link)
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This repository contains the source code for the following projects:
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* [**MolCRAFT**: Structure-Based Drug Design in Continuous Parameter Space](https://arxiv.org/abs/2404.12141) (ICML'24)
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* [**MolJO**: Empower Structure-Based Molecule Optimization with Gradient
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* [**MolPilot**: Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule](https://arxiv.org/abs/2505.07286) (ICML'25)
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## 📜 Overview
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<div align='center'>
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<h1> MolCRAFT Series for Drug Design </h1>
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[](https://github.com/AlgoMole/MolCRAFT/tree/master)
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[](https://MolCRAFT-GenSI.github.io/)
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[](https://drive.google.com/drive/folders/16KiwfMGUIk4a6mNU20GnUd0ah-mjNlhC?usp=share_link)
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This repository contains the source code for the following projects:
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* [**MolCRAFT**: Structure-Based Drug Design in Continuous Parameter Space](https://arxiv.org/abs/2404.12141) (ICML'24)
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* [**MolJO**: Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks](https://arxiv.org/abs/2411.13280) (ICML'25)
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* [**MolPilot**: Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule](https://arxiv.org/abs/2505.07286) (ICML'25)
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## 📜 Overview
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