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_nonbonded_plugin
openmm_rigidbody_plugin
Rigid Body Dynamics with OpenMM
openxps
Extended Phase-Space Simulations with OpenMM
ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM
craabreu's Repositories
craabreu/ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM
craabreu/openmm-nonbonded-slicing
An OpenMM plugin for slicing nonbonded interactions based on particle classification
craabreu/openxps
Extended Phase-Space Simulations with OpenMM
craabreu/afed
craabreu/DEM3D
Discrete element method simulation of three-dimensional granular systems
craabreu/openmm-lab
A plugin for testing low-level code implementation for OpenMM
craabreu/openmm_nonbonded_plugin
craabreu/opes-simulations
OPES simulations
craabreu/atoms_site
ATOMS Web Site
craabreu/badges
craabreu/compatibilizers
craabreu/conda-forge-staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
craabreu/cvpack
Useful Collective Variables for OpenMM
craabreu/datamol
Molecular Processing Made Easy.
craabreu/EmDee.jl
Molecular Dynamics
craabreu/f2pmf
craabreu/lammps
Public development project of the LAMMPS MD software package
craabreu/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
craabreu/openmm-cpp-forces
Platform-agnostic OpenMM Forces
craabreu/openmm-native-nonbonded-plugin
OpenMM's NonbondedForce class in Plug-in Form
craabreu/openmm-opes
On-the-Fly Probability Enhanced Sampling with OpenMM
craabreu/openmm-plumed-feedstock
A conda-smithy repository for openmm-plumed.
craabreu/pdb_bond_assignment
Tests for bond assignment in PDB structures
craabreu/perses
Experiments with expanded ensembles to explore chemical space
craabreu/perses-feedstock
A conda-smithy repository for perses.
craabreu/polysarcosine
craabreu/regulated_dynamics_paper
craabreu/sparsembar
A Sparse-Matrix Variant of MBAR
craabreu/testrepo
Test repo
craabreu/tinker_workshop_2022
Tinker Developer Workshop Presentation