Development version of plumed 2
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Updated
May 31, 2024 - C++
Development version of plumed 2
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
Collective variables library for molecular simulation and analysis programs
the simple alchemistry library
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
The Valden Heat Pump controller is a platform to precisely control heat pumps
A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
A Python library and command line interface for automated free energy calculations
Python tutorial for estimating and clustering free energy landscapes with InfleCS.
NGC-Learn: Neurobiological Learning and Biomimetic Systems Simulation in Python
The Open Free Energy toolkit
the simple alchemistry test set
Python tutorial for estimating and clustering free energy landscapes with InfleCS.
Calculation of water/solvent partition coefficients with Gromacs.
Unified Free Energy Dynamics (UFED) simulations with OpenMM
A toy model of Friston's active inference in Tensorflow
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.
A package for molecular dynamics analysis and parallel tempering in GROMACS
ManifoldEM Python suite
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