craabreu Goto Github PK
Name: Charlles Abreu
Type: User
Company: Redesign Science
Bio: Principal Scientist - Molecular Dynamics
Twitter: charlles_abreu
Location: Cambridge, MA
Charlles Abreu's Projects
afed
artigo_fp
atoms_site
ATOMS Web Site
atomstoys
badges
binary_diffusion
compatibilizers
conda-forge-staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
cookiecutter-compchem
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
coupled_oscillators
cpa-renorm
cvpack
Useful Collective Variables for OpenMM
datamol
Molecular Processing Made Easy.
dem3d
Discrete element method simulation of three-dimensional granular systems
emdee.jl
Molecular Dynamics
f2pmf
ionic_liquids_paper
lammps
Public development project of the LAMMPS MD software package
limited_speed_dynamics
memory_respa_tests
mics
A friendly Python library for multistate analysis with MICS and MBAR
mics-examples
MICS Method Examples
mics.jl
mics_paper
modified_hamiltonian_paper
nblists
A Neighbor List Handler for Molecular Simulation
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
openmm-cpp-forces
Platform-agnostic OpenMM Forces
openmm-lab
A plugin for testing low-level code implementation for OpenMM
openmm-native-nonbonded-plugin
OpenMM's NonbondedForce class in Plug-in Form
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