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Found 2 papers, 1 papers with code
Practical Massively Parallel Monte-Carlo Tree Search Applied to Molecular Design
In this paper, we propose a novel massively parallel Monte-Carlo Tree Search (MP-MCTS) algorithm that works efficiently for 1, 000 worker scale, and apply it to molecular design.
ChemTS: An Efficient Python Library for de novo Molecular Generation
Automatic design of organic materials requires black-box optimization in a vast chemical space.
Chemical Physics Computational Engineering, Finance, and Science
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