Recasting EquiformerV2 as a deep equilibrium model with warm-started fixed points gives faster and often more accurate force predictions on standard MD benchmarks, though energy accuracy on OC20 is worse.
Cormorant: Covariant molecular neural networks.Advances in neural information processing systems, 32, 2019
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DEQuify your force field: More efficient simulations using deep equilibrium models
Recasting EquiformerV2 as a deep equilibrium model with warm-started fixed points gives faster and often more accurate force predictions on standard MD benchmarks, though energy accuracy on OC20 is worse.