no code implementations • 3 Feb 2024 • Juan-Ni Wu, Tong Wang, Li-Juan Tang, Hai-Long Wu, Ru-Qin Yu
String-based molecular representations, such as SMILES, are a de facto standard for linearly representing molecular information.
no code implementations • 4 Jan 2023 • Juan-Ni Wu, Tong Wang, Yue Chen, Li-Juan Tang, Hai-Long Wu, Ru-Qin Yu
Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models.