Technical Blog
Tag: drug discovery
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Nov 03, 2021
OpenEye Scientific’s OMEGA Generates 3D Molecular Conformers for Drug Design 30X Faster with NVIDIA
Learn how the updated OpenEye OMEGA software uses NVIDIA GPUs for significantly faster conformer generation, with no loss in accuracy.
3 MIN READ
News
Oct 05, 2021
AI Model Predicts Drug Synergies for Fighting COVID-19
Researchers develop a deep learning model that predicts optimal drug combinations for treating COVID-19 patients.
3 MIN READ
Technical Walkthrough
Aug 24, 2021
Accelerating SE(3)-Transformers Training Using an NVIDIA Open-Source Model Implementation
SE(3)-Transformers are versatile graph neural networks. NVIDIA just released an open-source optimized implementation that uses 9x less memory and is up to 21x faster than the baseline official implementation.
8 MIN READ
News
Jul 21, 2021
Predicting Protein Structures with Deep Learning
The research, from scientists at the University of Washington (UW), holds promise for faster drug development, which could unlock solutions for treating diseases like cancer.
3 MIN READ
News
Aug 12, 2020
Atomwise Raises $123 Million to Accelerate AI Drug Discovery
Drug discovery startup Atomwise recently raised $123 million bringing the total amount of capital the company has raised to date to almost $175 million.
2 MIN READ
News
Jul 29, 2019
Developer Spotlight: Opening a New Era of Drug Discovery with Amber
Amber is a suite of biomolecular simulation programs that began in the late 1970’s and is maintained by an active development community.
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