2 results found Sort:
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with so...
ase
cp2k
cpmd
lammps
python
sqlite
preprocessing
postprocessing
parameter-sweep
quantum-espresso
kernel-regression
molecular-dynamics
polynomial-regression
radial-basis-function
kernel-ridge-regression
multivariate-regression
quasi-harmonic-approximation
radial-distribution-function
radial-pair-correlation-function
Created
2016-02-05
1,393 commits to master branch, last one 7 months ago
This repo demonstrates how to build a surrogate (proxy) model by multivariate regressing building energy consumption data (univariate and multivariate) and use (1) Bayesian framework, (2) Pyomo packag...
hvac
ipopt
pymoo
pyomo
nsga-ii
deterministic
gurobi-solver
sobol-indices
building-energy
cross-validation
xgboost-regression
bayesian-optimization
nonlinear-optimization
multivariate-regression
probabilistic-inference
stochastic-optimization
latin-hypercube-sampling
machine-learning-algorithms
multi-objective-optimization
genetic-optimization-algorithm
Created
2023-02-18
66 commits to main branch, last one 2 years ago