Tianfan Fu

Results 5 repositories owned by Tianfan Fu

clinical-trial-outcome-prediction

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benchmark dataset and Deep learning method (Hierarchical Interaction Network, HINT) for clinical trial approval probability prediction, published in Cell Patterns 2022.

DST

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(differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)

MIMOSA

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MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization (AAAI 21')

CORE

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CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)

reinforced-genetic-algorithm

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Structure-based Drug Design; Reinforcement Learning and Genetic Algorithm