Evaluating the Use of Foundational Chemical Language Models in Multimodal Graph Fusion Conference Paper December, 2024
MDLoader: A Hybrid Model-Driven Data Loader for Distributed Graph Neural Network Training Conference Paper November, 2024
PANDORA: A Parallel Dendrogram Construction Algorithm for Single Linkage Clustering on GPU... Conference Paper August, 2024
A Deep Learning Approach for Detection and Localization of Leaf Anomalies Conference Paper June, 2024
Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules Conference Paper May, 2024
MDLoader: A Hybrid Model-driven Data Loader for Distributed Deep Neural Networks Training... Conference Paper May, 2024
Invariant Features for Accurate Predictions of Quantum Chemical UV-vis Spectra of Organic Molecules Conference Paper March, 2024
Novel Approaches Toward Scalable Composable Workflows in Hyper-Heterogeneous Computing Environments Conference Paper November, 2023
DDStore: Distributed Data Store for Scalable Training of Graph Neural Networks on Large Atomistic Modeling Datasets Conference Paper November, 2023
