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"Computer-Aided Drug Design and Workload Automation"

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Computer-aided drug design (CADD) combining computational chemistry, molecular modeling, and rational drug design together with artificial intelligence (AI) and machine learning are rapidly changing the technological landscape of drug discovery.

These advanced computational methods enable more sophisticated analysis of molecular interactions and better predictions of drug behavior, reducing the time and cost associated with the drug development process.

Attendees will discover how:

• Rescale’s high performance computing (HPC) platform, built for the cloud, provides on-demand access to the latest software and hardware for drug discovery workloads
• Rescale make building advanced and innovative drug discovery pipelines with generative AI simple
• To scale and run computationally intensive workloads and deploy AI drug discovery applications on more than 1,000 pre-installed and fine-tuned commercial and open-source software options like GROMACS and LAMMPS
• NVIDIA BioNeMo, using pre-selected hardware and software, accelerates the process with pre-loaded, ready-to-use templates that access custom data directly from AWS

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