Absolute solvation free energy calculations with OpenFF and OpenMM
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Nov 23, 2024 - Python
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non-equilibrium
Here are 8 public repositories matching this topic...
Python solver for the Brownian, Stochastic, or Noisy Differential Equations
langevin
oscillator
stochastic-differential-equations
stochastic-processes
random-walk
noise-maps
ode-solver
langevin-equations
langevin-dynamics
runge-kutta-methods
euler-method
non-equilibrium
brownian-motion
brownian-dynamics
langevin-diffusion
perturbation-analysis
midpoint-method
noisy-differential-equations
ode-solver-stochastic
noisy-systems
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Jul 12, 2018 - Python
A Non-Equilibrium Dynamical Mean-Field Theory Engine in Julia
non-equilibrium
dynamical-mean-field-theory
strongly-correlated-systems
ultrafast-dynamics
kadanoff-baym
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Aug 13, 2024 - Julia
Machine learning for state-to-state
tensorflow
julia
scikit-learn
keras
regression
gan
rnn
kinetics
transport-properties
non-equilibrium
pinns
state-to-state
relaxation-terms
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Feb 15, 2022 - Fortran
Toolkit for quantifying errors in non-equilibrium data
biochemistry
biophysics
non-equilibrium
free-energy-calculations
free-energy-surface
jarzynski-equality
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Sep 22, 2022 - Python
Markovian-dynamics is a Python package built to simplify dynamics calculations in thermodynamic systems.
physics
thermodynamics
non-equilibrium
master-equation
markovian-dynamics
rate-matrix
detailed-balance
arrhenius-process
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Apr 13, 2019 - Python
Simulation of Photonic Condensates
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Updated
Jan 10, 2021 - Python
Numerical simulation of non-equilibrium dynamics of Majorana fermions with all-to-all interactions
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Mar 10, 2019 - C++
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