Gargoyles: An Open Source Graph-Based Molecular Optimization Method Based on Deep Reinforcement Learning

• Daiki Erikawa,
• Nobuaki Yasuo,
• Takamasa Suzuki,
• Shogo Nakamura,
• Masakazu Sekijima

Affiliations

Daiki Erikawa

Department of Computer Science, Tokyo Institute of Technology, Yokohama, Japan

Nobuaki Yasuo

Academy for Convergence of Materials and Informatics (TAC-MI), Tokyo Institute of Technology, Tokyo, Japan

Takamasa Suzuki

Department of Computer Science, Tokyo Institute of Technology, Yokohama, Japan

Shogo Nakamura

Department of Life Science and Technology, Tokyo Institute of Technology, Yokohama, Japan

Masakazu Sekijima

Department of Computer Science, Tokyo Institute of Technology, Yokohama, Japan