Search Results for author: Kevin McCloskey

Found 6 papers, 2 papers with code

OpenContrails: Benchmarking Contrail Detection on GOES-16 ABI

no code implementations4 Apr 2023 Joe Yue-Hei Ng, Kevin McCloskey, Jian Cui, Vincent R. Meijer, Erica Brand, Aaron Sarna, Nita Goyal, Christopher Van Arsdale, Scott Geraedts

Contrails (condensation trails) are line-shaped ice clouds caused by aircraft and are likely the largest contributor of aviation-induced climate change.


Dataset of Random Relaxations for Crystal Structure Search of Li-Si System

no code implementations5 Dec 2020 Gowoon Cheon, Lusann Yang, Kevin McCloskey, Evan J. Reed, Ekin D. Cubuk

We illustrate the usage of the dataset by training graph neural networks to predict structural relaxations from randomly generated structures.

Data Augmentation Domain Generalization

Using Attribution to Decode Dataset Bias in Neural Network Models for Chemistry

no code implementations27 Nov 2018 Kevin McCloskey, Ankur Taly, Federico Monti, Michael P. Brenner, Lucy Colwell

The dataset bias makes these models unreliable for accurately revealing information about the mechanisms of protein-ligand binding.

Molecular Graph Convolutions: Moving Beyond Fingerprints

2 code implementations2 Mar 2016 Steven Kearnes, Kevin McCloskey, Marc Berndl, Vijay Pande, Patrick Riley

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications.

BIG-bench Machine Learning Drug Discovery +1

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