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IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads., , , , , , , , , and 26 other author(s). CoRR, (2020)HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data., , , , , , , and . CoRR, (2020)Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis., , , , , , , , , and 1 other author(s). XLOOP@SC, page 35-40. IEEE, (2020)Big Data Remote Access Interfaces for Light Source Science., , , , , and . BDC, page 51-60. IEEE Computer Society, (2015)Serverless Workflows for Indexing Large Scientific Data., , , , , , , , and . WOSC@Middleware, page 43-48. ACM, (2019)Petrel: A Programmatically Accessible Research Data Service., , , , , , , , , and . PEARC, page 49:1-49:7. ACM, (2019)Towards a Modular Architecture for Science Factories., , , , , , , , , and 7 other author(s). CoRR, (2023)High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor., , , , , , , , , and 20 other author(s). J. Chem. Inf. Model., 62 (1): 116-128 (2022)Linking scientific instruments and computation: Patterns, technologies, and experiences., , , , , , , , , and 3 other author(s). Patterns, 3 (10): 100606 (2022)Accelerating Electronic Stopping Power Predictions by 10 Million Times with a Combination of Time-Dependent Density Functional Theory and Machine Learning., , , , , and . CoRR, (2023)