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MISATO: A Dataset of Protein-Ligand Complexes for Structure-Based Drug Discovery Using Machine Learning

Artificial Intelligence (AI) technology researchers from multiple institutions including the Institute of Structural Biology, Technical University of Munich, and others have developed a novel approach to drug discovery, named MISATO. This innovative model is designed to enhance the process of drug design, a critical aspect within the broader field of computational chemistry and structural biology.…

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FastGen: Efficiently Reducing GPU Memory Expenses without Sacrificing LLM Quality

Autoregressive language models (ALMs) have become invaluable tools in machine translation, text generation, and similar tasks. Despite their success, challenges persist such as high computational complexity and extensive GPU memory usage. This makes the need for a cost-effective way to operate these models urgent. Large language models (LLMs), which use KV Cache mechanism to enhance…

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