Pinned Repositories
3Dmol.js
WebGL accelerated JavaScript molecular graphics library
dca_portfolio
force_fields
custom gromacs force-fields - includes custom residues (e.g. hybrid residues for alchemical mutagenesis) as well as consistency tests
gist
monte_carlo
Ising and generalized Potts model engines
nrego.github.io
qunit-once
Adds one time module setup and teardown support to QUnit
qunit-reporter-junit
A QUnit plugin for producing JUnit-style XML test reports.
sam_cnn
ssa-diffusion
A stochastic simulation alogorithm with diffusion
nrego's Repositories
nrego/force_fields
custom gromacs force-fields - includes custom residues (e.g. hybrid residues for alchemical mutagenesis) as well as consistency tests
nrego/3Dmol.js
WebGL accelerated JavaScript molecular graphics library
nrego/dca_portfolio
nrego/gist
nrego/monte_carlo
Ising and generalized Potts model engines
nrego/nrego.github.io
nrego/qunit-once
Adds one time module setup and teardown support to QUnit
nrego/qunit-reporter-junit
A QUnit plugin for producing JUnit-style XML test reports.
nrego/sam_cnn
nrego/ssa-diffusion
A stochastic simulation alogorithm with diffusion
nrego/test_coul
nrego/test_vdw
nrego/three.js
JavaScript 3D library.
nrego/toy_systems
nrego/WebMol
Object-oriented JavaScript adapter library for online molecular visualization
nrego/webmol-doc-template
JSDoc template for WebMol.js documentation
nrego/westpa
WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
nrego/westpa_old
My previous hack-ish changes to WESTPA code. Self sustained, but not linked to upstream