• Alchemical Analysis

  • Referenced in 2 articles [sw36622]
  • implementing some recommended practices for analyzing alchemical free energy calculations. Use Alchemlyb instead...
  • alchemlyb

  • Referenced in 1 article [sw36621]
  • alchemlyb is a library for doing alchemical free energy calculations more easily. It includes functions...
  • FESetup

  • Referenced in 0 articles [sw34871]
  • FESetup: Automating Setup for Alchemical Free Energy Simulations. FESetup is a new pipeline tool which ... support fast and easy setup of alchemical free energy simulations for molecular simulation packages such...
  • CUDA

  • Referenced in 1207 articles [sw03258]
  • The NVIDIA® CUDA® Toolkit provides a comprehensive development...
  • Gromacs

  • Referenced in 115 articles [sw04128]
  • GROMACS is a versatile package to perform molecular...
  • GOMC

  • Referenced in 2 articles [sw27534]
  • GOMC: GPU Optimized Monte Carlo for the simulation...