-
-
-
openmm-cosacc Public
Cosine acceleration for viscosity calculation
-
openmm-customtools Public
Some CustomBond and CustomIntegrator classes for collective varible defining and enhanced sampling
-
i-pi-driver Public
Socket client for i-PI package
-
-
-
-
swarm-of-trajectory Public
Dynamic study based on s-o-t theory
Python MIT License UpdatedApr 11, 2019 -
BayesianOptimization Public
Forked from bayesian-optimization/BayesianOptimizationA Python implementation of global optimization with gaussian processes.
Python MIT License UpdatedMar 14, 2019 -
poltype Public
Forked from pren/poltypePOLTYPE AMOEBA parameterization tool
Python GNU General Public License v2.0 UpdatedMar 4, 2019 -
EVB Public
Empirical valance bond method to hybrid multiple PES
-
openmm Public
Forked from openmm/openmmOpenMM is a toolkit for molecular simulation using high performance GPU code.
C++ UpdatedJan 22, 2019 -
quasidyn Public
Quasiclassical Direct Dynamics with Gaussian
{{ message }}