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kernel-ridge-regression

Here are 11 public repositories matching this topic...

mlatom

dralgroup / mlatom

AI-enhanced computational chemistry

machine-learning deep-learning neural-network quantum-mechanics artificial-intelligence computational-chemistry quantum-chemistry quantum-chemistry-programs kernel-ridge-regression kernel-method machine-learning-potential

Updated Dec 18, 2024
Python

elcorto / pwtools

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 some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

python sqlite molecular-dynamics lammps preprocessing quantum-espresso polynomial-regression cp2k multivariate-regression radial-basis-function kernel-regression postprocessing radial-distribution-function ase parameter-sweep kernel-ridge-regression quasi-harmonic-approximation cpmd radial-pair-correlation-function

Updated Jul 30, 2024
Python

binghuang2018 / aqml

Amons-based quantum machine learning for quantum chemistry

machine-learning cheminformatics quantum-chemistry active-learning kernel-ridge-regression training-set-selection multi-fidelity-krr molecular-representation

Updated Jun 7, 2022
Python

lsorber / neo-ls-svm

Neo LS-SVM is a modern Least-Squares Support Vector Machine implementation

python machine-learning kernel-methods support-vector-machines gaussian-processes kernel-ridge-regression conformal-prediction prediction-intervals ls-svm

Updated Apr 1, 2024
Python

AmishaSomaiya / Machine-Learning

Machine Learning Code Implementations in Python

Updated May 9, 2024
Python

windhaunting / kernel_methods

kernel linear regression and svm for Creditcard and Tumor data

svm kernel-ridge-regression

Updated Nov 7, 2017
Python

jakublala / alchemical-kernels

Pytorch implementation of Alchemical Kernels from Phys. Chem. Chem. Phys., 2018,20, 29661-29668

soap kernel-ridge-regression energy-prediction alchemical-kernel rascaline elpasolite

Updated Aug 11, 2022
Python

elcorto / gp_playground

Explore selected topics related to Gaussian processes

machine-learning scikit-learn gaussian-processes kernel-ridge-regression gpytorch gpy tinygp

Updated Dec 7, 2024
Python

marcosdelcueto / Tutorial_KRR

Codes and images used for blog article at https://www.mdelcueto.com/blog/kernel-ridge-regression-tutorial/

blog machine-learning tutorial regression kernel-ridge-regression

Updated Sep 13, 2020
Python

tjarkpr / software-project-fhwedel

Lecture "Softwareprojekt" @fh-wedel WS20

kernel-ridge-regression fh-wedel pmagentur

Updated Mar 18, 2023
Python

jyuan1986 / onr2017

Scripts for machine learning at ONR project (2017-)

python machine-learning neural-network linear-regression support-vector-regression kernel-ridge-regression

Updated Feb 15, 2018
Python

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