output
20182025
most citedEnhanced Sampling in the Age of Machine Learning: Algorithms and Applications

47 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2024Show all

2 papers · 1 filter

cs.LG2024★ 2 cited

Human-level molecular optimization driven by mol-gene evolution

Jiebin Fang, Churu Mao, Yuchen Zhu +3

De novo molecule generation allows the search for more drug-like hits across a vast chemical space. However, lead optimization is still required, and the process of optimizing mole…

q-bio.BM2024★ 1 cited

Latent Chemical Space Searching for Plug-in Multi-objective Molecule Generation

Ningfeng Liu, Jie Yu, Siyu Xiu +7

Molecular generation, an essential method for identifying new drug structures, has been supported by advancements in machine learning and computational technology. However, challen…