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Historically, quantum mechanics and computational chemistry has been unable to overcome the orthogonal requirements of speed and accuracy. If you want an accurate calculation, be ready to pay the ...

This repository provides a step-by-step protocol for performing molecular dynamics (MD) simulations and binding free energy calculations of membrane protein–peptide systems using the AMBER software ...

Matrix multiplication is at the heart of many machine learning breakthroughs, and it just got faster—twice. Last week, DeepMind announced it discovered a more efficient way to perform matrix ...