Kelvin Paschal - Publications

On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction

Edward Elson Kosasih, Joaquin Cabezas, Xavier Sumba, Piotr Bielak, Kamil Tagowski, Kelvin Idanwekhai, Benedict Aaron Tjandra, Arian Rokkum Jamasb. On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction. arXiv preprint arXiv:2106.15529 (2021).

Machine learning of three-dimensional protein structures to predict the functional impacts of genome variation

Kriti Shukla, Kelvin Idanwekhai, Martin Naradikian, Stephanie Ting, Stephen P. Schoenberger and Elizabeth Brunk. Machine learning of three-dimensional protein structures to predict the functional impacts of genome variation. Journal of Chemical Information and Modeling (2024).

Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics

Matthew Hart, Kelvin Idanwekhai, Vinicius M. Alves, Alexander J. M. Miller, Jillian L. Dempsey, James F. Cahoon, Chun-Hsing Chen, David A. Winkler, Eugene N. Muratov, and Alexander Tropsha. Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics. Chemistry of Materials (2024)

Publications_

On Graph Neural Network Ensembles for Large-Scale Molecular Property Prediction

Machine learning of three-dimensional protein structures to predict the functional impacts of genome variation

Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics