activity
20192022
most citedTargeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release

20 citations · 20 across the 3 of their papers we have counts for

collaborators

5 papers

cs.CV2022

3D Convolutional Neural Networks for Dendrite Segmentation Using Fine-Tuning and Hyperparameter Optimization

Jim James, Nathan Pruyne, Tiberiu Stan +6

Dendritic microstructures are ubiquitous in nature and are the primary solidification morphologies in metallic materials. Techniques such as x-ray computed tomography (XCT) have pr…

cs.LG2020

HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data

Sutanay Choudhury, Jenna A. Bilbrey, Logan Ward +5

Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and…

cs.CV2020

Towards Online Steering of Flame Spray Pyrolysis Nanoparticle Synthesis

Maksim Levental, Ryan Chard, Joseph A. Libera +8

Flame Spray Pyrolysis (FSP) is a manufacturing technique to mass produce engineered nanoparticles for applications in catalysis, energy materials, composites, and more. FSP instrum…

q-bio.BM202020 cited

Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release

Yadu Babuji, Ben Blaiszik, Tom Brettin +15

Researchers across the globe are seeking to rapidly repurpose existing drugs or discover new drugs to counter the the novel coronavirus disease (COVID-19) caused by severe acute re…

cond-mat.mtrl-sci2019

A Data Ecosystem to Support Machine Learning in Materials Science

Ben Blaiszik, Logan Ward, Marcus Schwarting +5

Facilitating the application of machine learning to materials science problems will require enhancing the data ecosystem to enable discovery and collection of data from many source…