Pinned Repositories
afed
DEM3D
Discrete element method simulation of three-dimensional granular systems
memory_respa_tests
mics
A friendly Python library for multistate analysis with MICS and MBAR
openmm-lab
A plugin for testing low-level code implementation for OpenMM
openmm-nonbonded-slicing
An OpenMM plugin for slicing nonbonded interactions based on particle classification
openmm_rigidbody_plugin
Rigid Body Dynamics with OpenMM
openxps
Extended Phase-Space Simulations with OpenMM
opes-simulations
OPES simulations
ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM
craabreu's Repositories
craabreu/openmm_rigidbody_plugin
Rigid Body Dynamics with OpenMM
craabreu/mics
A friendly Python library for multistate analysis with MICS and MBAR
craabreu/memory_respa_tests
craabreu/artigo_FP
craabreu/atomstoys
craabreu/binary_diffusion
craabreu/cookiecutter-compchem
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
craabreu/coupled_oscillators
craabreu/cpa-renorm
craabreu/ionic_liquids_paper
craabreu/limited_speed_dynamics
craabreu/MICS-examples
MICS Method Examples
craabreu/MICS.jl
craabreu/mics_paper
craabreu/modified_hamiltonian_paper
craabreu/NBLists
A Neighbor List Handler for Molecular Simulation
craabreu/openmmtools
An OpenMM toolkit with test systems, integrators, and alchemical support
craabreu/packmol
Packmol
craabreu/PINY
craabreu/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
craabreu/respa_paper
craabreu/rigid_nvt
NVT Molecular Dynamics with Rigid Bodies
craabreu/rigid_nvt_paper
craabreu/simtop
Simulation of rigid bodies
craabreu/SIN-R
Large Time Step Integrator
craabreu/sinr_paper
craabreu/sinr_solvation_paper
craabreu/solvation_tests
craabreu/travis-broken-example
An example that will cause a build failure
craabreu/USER-EXPENS