Pinned Repositories
ABF-example-files-for-NAMD-and-OpenMM
BFEE2
binding free energy estimator 2
BFEE2APIDocs
Binding-free-energy-estimator-BFEE-
Binding free energy estimator plugin of VMD
eABF-analyzer-for-NAMD
analyze 1D (e)ABF simulation in NAMD
Multidimensional-lowest-energy--Mule
Finding a lowest-energy pathway on a multidimensional landscape
NAMD-xtb-QMMM-interface
NAMD-xtb-QMMM-interface
ShaguScore-Itemlevel
A Vanilla Addon that displays a gearscore alike item rating
Tutorial_Advanced_WTM-eABF
Necessary files for the tutorial "Overcoming Sampling Issues and Improving the Computational Efficiency in Collective-Variable-Based Enhanced Sampling Simulations "
Wang-Landau-implemtation-in-NAMD
fhh2626's Repositories
fhh2626/BFEE2
binding free energy estimator 2
fhh2626/eABF-analyzer-for-NAMD
analyze 1D (e)ABF simulation in NAMD
fhh2626/NAMD-xtb-QMMM-interface
NAMD-xtb-QMMM-interface
fhh2626/ABF-example-files-for-NAMD-and-OpenMM
fhh2626/Multidimensional-lowest-energy--Mule
Finding a lowest-energy pathway on a multidimensional landscape
fhh2626/Binding-free-energy-estimator-BFEE-
Binding free energy estimator plugin of VMD
fhh2626/Tutorial_Advanced_WTM-eABF
Necessary files for the tutorial "Overcoming Sampling Issues and Improving the Computational Efficiency in Collective-Variable-Based Enhanced Sampling Simulations "
fhh2626/Wang-Landau-implemtation-in-NAMD
fhh2626/BFEE2APIDocs
fhh2626/ShaguScore-Itemlevel
A Vanilla Addon that displays a gearscore alike item rating
fhh2626/Sublime-Text-Conda-Switcher
A convenient tool to switch conda env + pyright config for Sublime Text 4
fhh2626/ABF-parser
a tool parsing and analyzing ABF outputs of NAMD
fhh2626/bfee2-feedstock
A conda-smithy repository for bfee2.
fhh2626/colvars
Collective variables module for molecular simulation and analysis programs
fhh2626/example_textbook
fhh2626/freeenergy
fhh2626/plumed2
Development version of plumed 2