Author of the publication

MoleculeKit: Machine Learning Methods for Molecular Property Prediction and Drug Discovery.

, , , , , , , and . CoRR, (2020)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization., , , , and . NeurIPS, (2023)Generating 3D Molecules for Target Protein Binding., , , , and . ICML, volume 162 of Proceedings of Machine Learning Research, page 13912-13924. PMLR, (2022)Frontiers of Graph Neural Networks with DIG., , , , , , , and . KDD, page 4796-4797. ACM, (2022)GraphDF: A Discrete Flow Model for Molecular Graph Generation., , and . ICML, volume 139 of Proceedings of Machine Learning Research, page 7192-7203. PMLR, (2021)Learning Fair Graph Representations via Automated Data Augmentations., , , , and . ICLR, OpenReview.net, (2023)DIG: A Turnkey Library for Diving into Graph Deep Learning Research., , , , , , , , , and 6 other author(s). CoRR, (2021)Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks., , , , , , , , , and . CoRR, (2021)Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems., , , , , , , , , and 53 other author(s). CoRR, (2023)Automated Data Augmentations for Graph Classification., , , , , , and . ICLR, OpenReview.net, (2023)3D Molecular Geometry Analysis with 2D Graphs., , , , , , , , , and . CoRR, (2023)