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RxnFlow: Generative Flows on Synthetic Pathway for Drug Design
RxnFlow: Generative Flows on Synthetic Pathway for Drug Design 리뷰
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RGFN: Synthesizable Molecular Generation Using GFlowNets
RGFN: Synthesizable Molecular Generation Using GFlowNets 리뷰
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Multi-Objective GFlowNets
Pareto optimal하면서도 diverse한 candidate를 생성하는 Multi-Objective GFlowNet 정리
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GFlowNet: Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
GFlowNet 논문 리뷰
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SPARROW: An algorithmic framework for synthetic cost-aware decision making in molecular design
Synthetic cost와 information gain을 동시에 고려하여 molecular design cycle에서 후보 분자와 합성 경로를 선택하는 graph-based optimization framework SPARROW 논문 리뷰