Multidimensional nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for analyzing molecular structures; however, its practical application is hindered by prolonged acquisition times and ...

Combining liquid chromatography (LC) with supercritical fluid chromatography (SFC) in a two-dimensional (2D) setup offers high orthogonality and improved isomer separation—ideal for complex, neutral ...

Python-based simulation of steady-state pressure distribution using the Jacobi method to solve the 2D Laplace equation. Includes fluid inlet/outlet boundary conditions and contour visualization.

PaCS-Q is an open-source Python toolkit that simplifies QM/MM MD and MD simulations, making complex pathway sampling accessible and user-friendly. Seamlessly integrated with the AMBER MD suite, it ...

Sampling-Based MPC A generic sampling-based MPC python library based on Jax. Implements the Feedback-MPPI method presented in the related paper to compute a first order approximation of the MPPI ...