Austin Clyde

According to our database1, Austin Clyde authored at least 25 papers between 2020 and 2023.

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Bibliography

2023
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics.
Int. J. High Perform. Comput. Appl., November, 2023

ChemoGraph: Interactive Visual Exploration of the Chemical Space.
Comput. Graph. Forum, June, 2023

AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J. Chem. Inf. Model., March, 2023

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol.
Int. J. High Perform. Comput. Appl., 2023

DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies.
CoRR, 2023

Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats.
CoRR, 2023

2022
AI for science and global citizens.
Patterns, 2022

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J. Chem. Inf. Model., 2022

Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action.
Int. J. High Perform. Comput. Appl., 2022

Deep learning methods for drug response prediction in cancer: predominant and emerging trends.
CoRR, 2022

Deep Surrogate Docking: Accelerating Automated Drug Discovery with Graph Neural Networks.
CoRR, 2022

A cross-study analysis of drug response prediction in cancer cell lines.
Briefings Bioinform., 2022

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery.
Proceedings of the Tenth International Conference on Learning Representations, 2022

2021
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics.
Int. J. High Perform. Comput. Appl., 2021

Protein-Ligand Docking Surrogate Models: A SARS-CoV-2 Benchmark for Deep Learning Accelerated Virtual Screening.
CoRR, 2021

Scaffold Embeddings: Learning the Structure Spanned by Chemical Fragments, Scaffolds and Compounds.
CoRR, 2021

Pandemic Drugs at Pandemic Speed: Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers.
CoRR, 2021

Learning curves for drug response prediction in cancer cell lines.
BMC Bioinform., 2021

Scalable HPC & AI infrastructure for COVID-19 therapeutics.
Proceedings of the PASC '21: Platform for Advanced Scientific Computing Conference, 2021

Stream-AI-MD: streaming AI-driven adaptive molecular simulations for heterogeneous computing platforms.
Proceedings of the PASC '21: Platform for Advanced Scientific Computing Conference, 2021


2020
Scalable HPC and AI Infrastructure for COVID-19 Therapeutics.
CoRR, 2020

Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release.
CoRR, 2020

Regression Enrichment Surfaces: a Simple Analysis Technique for Virtual Drug Screening Models.
CoRR, 2020

A Systematic Approach to Featurization for Cancer Drug Sensitivity Predictions with Deep Learning.
CoRR, 2020


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