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    66 repositories

    • MAST-ML

      Public
      MAterials Simulation Toolkit for Machine Learning (MAST-ML)
      Jupyter Notebook
      •
      MIT License
      •61•105•22•10•Updated Oct 9, 2024Oct 9, 2024

    • MoleProp

      Public
      Jupyter Notebook
      •
      MIT License
      •3•11•0•0•Updated Sep 10, 2024Sep 10, 2024

    • RPV_model

      Public
      Ensemble neural network model for predicting transition temperature shifts of RPV alloys
      PureBasic
      •0•1•0•2•Updated Aug 2, 2024Aug 2, 2024

    • materials_application_domain_machine_learning

      Public
      A package for definining the domain of a machine learning model via a feature dissimilarity metric.
      Python
      •2•1•0•0•Updated Jul 10, 2024Jul 10, 2024

    • multilearn

      Public
      Pytorch wrapper for multi-task learning
      Python
      •
      MIT License
      •1•0•0•0•Updated Jun 4, 2024Jun 4, 2024

    • material_error_bar_predictions

      Public
      Vidit's work on error bar predictions.
      Python
      •0•0•0•0•Updated Apr 9, 2024Apr 9, 2024

    • model_perovskite_Opband

      Public
      Random forest model to predict the O 2p-band center of perovskite oxides
      Python
      •0•0•0•0•Updated Apr 2, 2024Apr 2, 2024

    • model_oxide_vacancy

      Public
      Random forest model to predict the formation energy of O vacancies in oxides
      Python
      •0•0•0•0•Updated Apr 2, 2024Apr 2, 2024

    • model_perovskite_ASR

      Public
      Random forest model to predict the area specific resistance (ASR) of perovskite oxides
      Python
      •1•0•0•0•Updated Apr 1, 2024Apr 1, 2024

    • model_semiconductor_lvls

      Public
      Random forest model to predict the defect charge state transition levels in semiconductors
      Python
      •0•0•0•0•Updated Apr 1, 2024Apr 1, 2024

    • model_thermal_conductivity

      Public
      Random forest model to predict the thermal conductivity of materials
      Python
      •0•1•0•0•Updated Apr 1, 2024Apr 1, 2024

    • transfernet

      Public
      Use pytorch to transfer learn data
      Python
      •
      MIT License
      •1•0•0•0•Updated Apr 1, 2024Apr 1, 2024

    • model_Li_conductivity

      Public
      Random forest model to predict the conductivity of Li in solid electrolytes
      Python
      •0•0•0•0•Updated Mar 29, 2024Mar 29, 2024

    • model_debyeT_aflow

      Public
      Random forest model to predict the Debye temperature of materials in the AFLOW database
      Python
      •0•0•0•0•Updated Mar 29, 2024Mar 29, 2024

    • model_dielectric

      Public
      Random forest model to predict the dielectric constant of materials
      Python
      •0•0•0•0•Updated Mar 29, 2024Mar 29, 2024

    • model_bandgap

      Public
      Random forest model to predict the electronic bandgap of materials
      Python
      •0•1•0•0•Updated Mar 29, 2024Mar 29, 2024

    • model_piezoelectric

      Public
      Random forest model to predict max piezoelectric displacement of materials
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_perovskite_Habs

      Public
      Random forest model to predict the H absorption uptake of perovskites
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_Mg_alloy

      Public
      Random forest model to predict the yield strength of Mg alloys
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_thermalcond_aflow

      Public
      Random forest model to predict the thermal conductivity of materials, trained from AFLOW database
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_thermalexp_aflow

      Public
      Random forest model to predict the thermal expansion coefficient of materials, trained from AFLOW database
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_RPV_TTS

      Public
      Random forest model to predict the transition temperature shift (TTS) of reactor pressure vessel (RPV) steels
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_phonon_freq

      Public
      Random forest model to predict maximum phonon frequency of materials
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_exfoliationE

      Public
      Random forest model to predict the exfoliation energy of materials
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_diffusion

      Public
      Random forest model to predict the dilute solute activation energy for diffusion
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_superconductivity

      Public
      Random forest model to predict the superconducting critical temperature of materials
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_steel_yield

      Public
      Random forest model to predict the yield strength of steel alloys
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_perovskite_workfunction

      Public
      Random forest model to predict the (001) AO-surface work function of perovskites
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_perovskite_stability

      Public
      Random forest model to predict the perovskite stability (as convex hull energy)
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024

    • model_perovskite_tec

      Public
      Random forest model to predict the thermal expansion coefficient of perovskites
      Python
      •0•0•0•0•Updated Mar 20, 2024Mar 20, 2024