Pre-training with fractional denoising to enhance molecular property prediction
Yuyan Ni, Shikun Feng, Xin Hong, Yuancheng Sun, Wei‐Ying Ma, Zhi-Ming Ma, Qiwei Ye, Yanyan Lan
Topics & Concepts
Property (philosophy)Training (meteorology)Noise reductionComputer scienceMedicineArtificial intelligencePhysicsMeteorologyPhilosophyEpistemologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics