CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein ...

The Python package PhaseFieldX, developed by researcher Miguel Castillón at IMDEA Materials Institute, has been published in ...

Python is an alternative to ABC that provides an efficient high-level data architecture and handles object-oriented programming efficiently. The programming language of Python is usually relatively ...

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 ...

PyQuake3D A Python tool for 3-D earthquake sequence simulations of seismic and aseismic slip PyQuake3D is a high-performance Python-based Boundary Element Method (BEM) code for simulating sequences of ...