Category: Machine Learning

Articles

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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