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Pre-training with Fractional Denoising to Enhance Molecular Property Prediction
Report
Ni, Yuyan
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Feng, Shikun
;
Hong, Xin
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Sun, Yuancheng
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Ma, Wei-Ying
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Ma, Zhi-Ming
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Ye, Qiwei
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From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics
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Gao, Bowen
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Tan, Haichuan
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Huang, Yanwen
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Ren, Minsi
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Huang, Xiao
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SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
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Huang, Yanwen
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Gao, Bowen
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Jia, Yinjun
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Ma, Hongbo
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Ma, Wei-Ying
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Zhang, Ya-Qin
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MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis
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Feng, Shikun
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Zheng, Jiaxin
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Jia, Yinjun
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UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning
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Feng, Shikun
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Ni, Yuyan
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Li, Minghao
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Huang, Yanwen
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Ma, Zhi-Ming
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MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space
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Qu, Yanru
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Song, Yuxuan
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Han, Jiawei
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Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks
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Song, Yuxuan
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Qu, Yanru
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Liu, Jingjing
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ESM All-Atom: Multi-scale Protein Language Model for Unified Molecular Modeling
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Zheng, Kangjie
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Long, Siyu
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Lu, Tianyu
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Yang, Junwei
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Dai, Xinyu
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Zhang, Ming
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Ma, Wei-Ying
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Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion
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Gao, Bowen
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Ren, Minsi
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Ni, Yuyan
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Huang, Yanwen
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Qiang, Bo
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Contextual Molecule Representation Learning from Chemical Reaction Knowledge
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Tang, Han
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Feng, Shikun
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Lin, Bicheng
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Ni, Yuyan
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Liu, JIngjing
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Ma, Wei-Ying
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