Category: ML Systems

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Accelerate molecular simulations with mlip

Accelerate molecular simulations with mlip

Understanding molecular behaviour allows researchers to predict the physical and chemical properties of complex systems1, such as how a protein folds or how a drug binds to its target. These insights are critical across biology, chemistry, and materials science2, especially when experiments are costly, time-consuming, or difficult to scale.  Yet molecular science has long grappled… Read more »

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