JARVIS-Tools
master
  • JARVIS-Tools
    • About
    • Capabilities
    • Installation
      • Using pip
      • Using conda
    • Example function
    • Citing
    • Module details
    • Correspondence
    • Funding support
    • Code of conduct
  • Tutorials
    • How to analyze an atomic structure
      • How to get RDF, ADF, DDF
      • How to get XRD paterns
      • How to make defects
    • How to setup/analyze DFT calculations using VASP
      • How to setup a single calculation
      • How to setup high-throughput calculations
      • How to plot electronic bandstructure and DOS
      • How to obtain elastic constants
      • How to plot generate an STM/STEM image
      • How to plot generate a dielectric function spectra and solar eff.
      • How to generate/use electronic Wannier tight binding model
      • How to generate Fermi-surfaces
      • How to run BoltzTrap for transport properties
      • How to make heterostructures/interfaces
      • How to get IR/Raman spectra
      • How to get piezoelectic/dielecrric/BEC constants
      • How to get electric field gradients
      • How to get work-function of a surface
      • How to get exfoliation energy of a 2D material
    • How to run/analyze MD static/dynamic calculation using LAMMPS
      • How to run calculation
      • How to analyze data
    • How to run/analyze DFT static calculation using Quantum espresso
      • How to setup a single calculation
      • How to setup high-throughput calculations
    • How to traing JARVIS-CFID ML models using sklearn/lightgbm
      • How to train chemical formula only datasets
      • How to train regression model
    • How to traing JARVIS-ALIGNN ML models using PyTorch
      • How to train regression model
      • How to train classification model
    • How to use quantum computation algorithms using Qiskit/Tequila/Pennylane
      • How to generate circuit model
      • How to run cals. on simulators
      • How to run cals. on actual quantum computers
  • Databases
    • JARVIS-DFT
      • JARVIS-Formation energy and bandgap
      • JARVIS-2D Exfoliation energies
      • JARVIS-MetaGGA (dielectric function and SLME, solar cells)
      • JARVIS-STM and STEM
      • JARVIS-WannierTB
      • JARVIS-Elastic constants
      • JARVIS-Topological materials (Spin-orbit Spillage)
      • JARVIS-DFPT (Piezoelectric, IR, Raman, dielectric, BEC)
      • JARVIS-BoltzTrap (Thermoelectrics coeff, eff. mass)
      • JARVIS-Magnetic moments
      • JARVIS-DFPT (Piezoelectric, IR, dielectric)
      • JARVIS-EFG
      • JARVIS-PBE0 and HSE06
      • JARVIS-Heterostructure
      • JARVIS-EDOS-PDOS
      • JARVIS-Kpoint and cut-off
    • JARVIS-FF
      • Energetics
      • Elastic constants
      • Vacancy formation energy
      • Surface energy and Wulff-plots
      • Phonon DOS
    • JARVIS-RAW Files
      • JARVIS-DFT structure relaxation
      • JARVIS-DFT Elastic constants/finite difference
      • JARVIS-WannierTB
      • JARVIS-STM and STEM
    • External datasets used for ML training
      • Materials project dataset
      • QM9 dataset
      • OQMD dataset
      • AFLOW dataset
      • Polymer genome dataset
      • COD dataset
      • OMDB dataset
      • QMOF dataset
      • C2DB dataset
      • HPOV dataset
  • Gallery
    • Electronic bandstructure
    • Phonon bandstructure
    • STM and STEM image
    • RDF, ADF, DDF plots
    • IR spectra
    • Periodic table trends
  • Publications
    • JARVIS-Overview
    • JARVIS-FF
    • JARVIS-DFT related
    • JARVIS-ML related
    • JARVIS-QC related
    • JARVIS-QETB related
  • API Reference
    • jarvis
      • Subpackages
        • jarvis.ai
        • jarvis.analysis
        • jarvis.core
        • jarvis.db
        • jarvis.io
        • jarvis.tasks
      • Package Contents
        • Functions
        • Attributes
JARVIS-Tools
  • API Reference
  • jarvis
  • jarvis.ai
  • jarvis.ai.uncertainty
  • Edit on GitHub

jarvis.ai.uncertainty¶

Modules for AI uncertainty.

Submodules¶

  • jarvis.ai.uncertainty.gaussian_process_uncertainty
  • jarvis.ai.uncertainty.lgbm_quantile_uncertainty
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© Copyright 2021, Kamal Choudhary. Revision e43b65a1.

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