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AspirinCode committed May 1, 2024
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Expand Up @@ -1679,6 +1679,10 @@ Hoogeboom, Emiel, Vıctor Garcia Satorras, Clément Vignac, and Max Welling.
### RL-based


* **De novo drug design as GPT language modeling: large chemistry models with supervised and reinforcement learning** [2024]
Ye, Gavin.
[ Journal of Computer-Aided Molecular Design 38.1 (2024)](https://link.springer.com/article/10.1007/s10822-024-00559-z) | [code](https://huggingface.co/Coconut104/EfficacyGPT-DrugDesign)

* **Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning** [2024]
Guo, Jeff, and Philippe Schwaller.
[JACS Au (2024)](https://doi.org/10.1021/jacsau.4c00066) | [code](https://github.com/schwallergroup/augmented_memory)
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### Large Language Model-based



* **De novo drug design as GPT language modeling: large chemistry models with supervised and reinforcement learning** [2024]
Ye, Gavin.
[ Journal of Computer-Aided Molecular Design 38.1 (2024)](https://link.springer.com/article/10.1007/s10822-024-00559-z) | [code](https://huggingface.co/Coconut104/EfficacyGPT-DrugDesign)

* **DrugAssist: A Large Language Model for Molecule Optimization** [2023]
Ye, Geyan, Xibao Cai, Houtim Lai, Xing Wang, Junhong Huang, Longyue Wang, Wei Liu, and Xiangxiang Zeng.
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