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cs.LG2024
Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates
Kaiyuan Gao, Yusong Wang, Haoxiang Guan +5
The application of language models (LMs) to molecular structure generation using line notations such as SMILES and SELFIES has been well-established in the field of cheminformatics…
cs.CL2024
Towards Generalist Prompting for Large Language Models by Mental Models
Haoxiang Guan, Jiyan He, Shuxin Zheng +3
Large language models (LLMs) have demonstrated impressive performance on many tasks. However, to achieve optimal performance, specially designed prompting methods are still needed.…