Recent advancements in machine learning and computational chemistry have led to several noteworthy developments. Sakana AI introduced Transformer², a self-adaptive architecture for large language models (LLMs) that allows real-time adjustments of model weights based on specific tasks. This innovation aims to enhance the efficiency of LLMs, reducing the need for extensive fine-tuning. Concurrently, EvolutionaryScale announced the release of ESM3, a generative language model capable of reasoning over protein properties such as sequence, structure, and function. This model has been made available for free to researchers worldwide via a public beta API, as highlighted in a recent publication in *Science Magazine*. Additionally, the SHAPES framework has been introduced for evaluating generative models of protein structures, utilizing structural embeddings to quantify distributional similarity. These advancements signify a growing trend in the integration of AI with biological research, promising to enhance capabilities in protein engineering and related fields.
Comparative Analysis of pKa Predictions for Arsonic Acids Using Density Functional Theory-Based and Machine Learning Approaches #machinelearning #compchem https://t.co/o5xujQm42o
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