University of Angers, France - Cité(e) 250 fois - Computer science - molecular discovery - metaheuristics - combinatorial optimization ...
EvoMol is a flexible and interpretable evolutionary algorithm designed for molecular properties optimization. It can optimize any (customizable) objective ...
In 2022, I defended my PhD thesis entitled "Combinatorial search guided by machine learning in molecular chemistry" in Angers in France.
Jules LEGUY | Cited by 211 | of University of Angers, Angers (UA) | Read 19 publications | Contact Jules LEGUY.
Jules Leguy
Affiliation: Université d'Angers
Research interests: Computer science, Molecular Discovery, Metaheuristics, and more
jules-leguy has 4 repositories available. Follow their code on GitHub.
Apr 25, 2024 · List of computer science publications by Jules Leguy.
Jules Leguy ; Affiliation. University of Angers, Angers, France ; Field. Physical Sciences and Mathematics ; Discipline. Chemistry ; Top Specialties. Artificial ...
In this chapter, we propose a presentation of the research challenges of molecular generation using methods from the artificial intelligence domain.
Definition and exploration of realistic chemical spaces using the connectivity and cyclic features of ChEMBL and ZINC. T. Cauchy, J. Leguy and B. Da Mota, ...