Dataset Groups Activity Stream Graph-based Molecular Representation Learning Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. BibTex: @dataset{Zhichun_Guo_and_Kehan_Guo_and_Bozhao_Nan_and_Yijun_Tian_and_Roshni_G_Iyer_and_Yihong_Ma_and_Olaf_Wiest_and_Xiangliang_Zhang_and_Wei_Wang_and_Chuxu_Zhang_and_Nitesh_V_Chawla_2025, abstract = {Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science.}, author = {Zhichun Guo and Kehan Guo and Bozhao Nan and Yijun Tian and Roshni G. Iyer and Yihong Ma and Olaf Wiest and Xiangliang Zhang and Wei Wang and Chuxu Zhang and Nitesh V. Chawla}, doi = {10.57702/ofrtlkeb}, institution = {No Organization}, keyword = {'chemical science', 'graph-based', 'machine learning', 'molecular representation learning'}, month = {jan}, publisher = {TIB}, title = {Graph-based Molecular Representation Learning}, url = {https://service.tib.eu/ldmservice/dataset/graph-based-molecular-representation-learning}, year = {2025} }
