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futianfan's Projects

clinical-trial-outcome-prediction icon clinical-trial-outcome-prediction

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

core icon core

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

dst icon dst

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

fusionretro icon fusionretro

[ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning

iclr19-graph2graph icon iclr19-graph2graph

Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)

lagnn icon lagnn

[ICML 2022] Local Augmentation for Graph Neural Networks

mimosa icon mimosa

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

moler icon moler

MOLER: Incorporate Molecule-Level Reward to Enhance Deep Generative Model for Molecule Optimization

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