Pinned Repositories
foundry
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
ML-error
VASP-Tools
A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP package
MAST
MAterials Simulation Toolkit for use with pymatgen
MAST-ML
MAterials Simulation Toolkit for Machine Learning (MAST-ML)
model_bandgap
Random forest model to predict the electronic bandgap of materials
model_metallicglass_Dmax
Random forest model to predict the maximum casting diameter of metallic glasses
model_metallicglass_Rc
Random forest model to predict the critical cooling rate of metallic glasses
model_thermal_conductivity
Random forest model to predict the thermal conductivity of materials
RPV_model
Ensemble neural network model for predicting transition temperature shifts of RPV alloys
rjacobs914's Repositories
rjacobs914/VASP-Tools
A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP package
rjacobs914/foundry
Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry
rjacobs914/ML-error