Learning on topological surface and geometric structure for 3D molecular generation
Odin Zhang, Tianyue Wang, Gaoqi Weng, Dejun Jiang, Ning Wang, Xiaorui Wang, Huifeng Zhao, Jialu Wu, Ercheng Wang, Guangyong Chen, Yafeng Deng, Peichen Pan, Yu Kang, Chang‐Yu Hsieh, Tingjun Hou
Topics & Concepts
Computer scienceTopology (electrical circuits)Surface (topology)Key (lock)GeodesicTopological complexityVariety (cybernetics)Stability (learning theory)Generative grammarTheoretical computer scienceArtificial intelligenceMathematicsMachine learningGeometryPure mathematicsComputer securityCombinatoricsComputational Drug Discovery MethodsMicrobial Natural Products and BiosynthesisChemical Synthesis and Analysis