ajsilveira Goto Github PK
Name: Ana Silveira
Type: User
Ana Silveira's Projects
curcubit7uril
cv_analysis
emdee
EmDee: A Molecular Dynamics Laboratory
femto
A comprehensive toolkit for predicting free energies
fix_hmc
A new LAMMPS fix style designed for Hybrid Monte Carlo simulations
iapetus
Open source toolkit for predicting bacterial porin permeation
iapetus-examples
Bacterial porin permeation calculation examples for iapetus
ionic_liquids_paper
lead_nafamostat_abfe
metadynamics-alchemical
openmm-webbuilder
JS/HTML5 webapp for setting up custom GPU-accelerated OpenMM molecular dynamics simulations.
openmm_rocsalt_plugin
openmmexampleplugin
An example of how to write a plugin for OpenMM
openmmtools
An OpenMM toolkit with test systems, integrators, and alchemical support
openmoltools
An open set of tools for automating tasks relating to small molecules
openpathsampling
An open source Python framework for transition interface and path sampling calculations.
oprd_opm
perses
Experiments with expanded ensembles to explore chemical space
porin-cylinder-fitting
porin-membrane-system
postlammps
A tool for performing post-processing of lammps log files
repex
rigid_nvt_paper
rocsalt
Dual topology alchemical free energies
steered_md
tps
ufedmm
Unified Free Energy Dynamics (UFED) simulations with OpenMM
user-alchemical
A LAMMPS user package for alchemical free-energy calculations
user-atoms
A LAMMPS user package developed at ATOMS/UFRJ
user-expens
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