Machine learning Methods and Software
ULaMDyn: Excited-State Dynamics Analysis with Machine Learning
New Software Unveils Hidden Patterns in Nonadiabatic Dynamics.
Machine learning Methods and Software
Boosting Molecular Dynamics with Socket-Based Communication
MD simulations can be 10x faster by replacing files with socket communication.
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Machine learning Methods and Software
A Simple Solution for Machine Learning of Vector Quantities
Effortlessly achieve rotationally invariant machine learning of vectors with the rotate-predict-rotate (RPR) method.
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