Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model

1 code implementation • 20 Mar 2024 • Peng Zhou, Jianmin Wang, Chunyan Li, Zixu Wang, Yiping Liu, Siqi Sun, Jianxin Lin, Longyue Wang, Xiangxiang Zeng

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge.

Drug Discovery Knowledge Distillation +2