Technical Blog

Learn how the updated OpenEye OMEGA software uses NVIDIA GPUs for significantly faster conformer generation, with no loss in accuracy. 3 MIN READ

Researchers develop a deep learning model that predicts optimal drug combinations for treating COVID-19 patients. 3 MIN READ

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

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

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

Amber is a suite of biomolecular simulation programs that began in the late 1970’s and is maintained by an active development community. < 1