LAMMPS(Large-scale Atomic/Molecular Massively Parallel Simulator)是一款广泛使用的开源分子动力学模拟软件,支持并行计算,适用于大规模模拟。 Python可以通过LAMMPS的输入脚本(in文件)来控制模拟过程,也可以使用LAMMPS的Python接口(如pylammps)来运行模拟和分析结果。 NAMD与Pyt
Over the years, molecular simulation engines such as LAMMPS [4] (Large-scale Atomic/Molecular Massively Parallel Simulator) and GROMACS [5] (Groningen Machine for Chemical Simulations) have emerged as field standards. Despite their comprehensive capabilities in facilitating diverse simulation configurations...
The core of the simulator uses abatching algorithmwhich gives significant asymptotic gains for protocols with relatively small reachable state sets. The package is designed to be run in a Python notebook, to concisely describe complex protocols, efficiently simulate their dynamics, and provide helpful ...
vavrines/Kinetic.jl: Universal modeling and simulation of fluid dynamics upon machine learning Gridap kailaix/AdFem.jl: Innovative, efficient, and computational-graph-based finite element simulator for inverse modeling SciML/ExponentialUtilities.jl: Utility functions for exponential integrators for the Sci...
COPASI–a COmplex PAthway SImulator. Bioinformatics. 2006;22(24):3067–74. doi:10.1093/bioinformatics/btl485. 9. Raue A, Steiert B, Schelker M, Kreutz C, Maiwald T, Hass H, Vanlier J, Tönsing C, Adlung L, Engesser R, Mader W, Heinemann T, Hasenauer J, Schilling M, Höfer T,...
Section 4 describes how to implement a parallel partial differential equation simulator, using Python and BSP. In this section, we also show how Python can be extended by migrating time-critical functions to tailor-made C and Fortran code. We then run some numerical benchmarks against similar ...
Euro-Truck-Simulator-2-Lane-Assist Lane assist for ETS2, built with the ultra-fast-lane-detection model. This project was made possible by the amazing 36 Jan 5, 2023 Attention-based CNN-LSTM and XGBoost hybrid model for stock prediction Attention-based CNN-LSTM and XGBoost hybrid model for...
Global optimization algorithms for molecular simulation easy to use generic rendering and physical engine for games (with scene graph) which goes together seamlessly Python Web projects using HTML + Javascritp + WebGL + THREE.js and/or Python Jupyter.nb ...
A survey of current software for network analysis in molecular biology Hum Genom, 4 (5) (2010), p. 353 Google Scholar [15] Hoops S., Sahle S., Gauges R., Lee C., Pahle J., Simus N., Singhal M., Xu L., Mendes P., Kummer U. COPASI—a complex pathway simulator Bioinformatics,...
vavrines/Kinetic.jl: Universal modeling and simulation of fluid dynamics upon machine learning Gridap kailaix/AdFem.jl: Innovative, efficient, and computational-graph-based finite element simulator for inverse modeling SciML/ExponentialUtilities.jl: Utility functions for exponential integrators for the Sci...