8 projects
mpdd-alignn
A version of the NIST-JARVIS ALIGNN optimized in terms of model performance and to some extent reliability, for large-scale deployments over the MPDD infrastructure by Phases Research Lab.
pysipfenn
Python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.
pyqalloy
PyQAlloy is a tool for detection of abnormal data in alloy datasets (and other chemical spaces), allowing removal of hard-to-find erros in the data which often introduce systematic errors throwing off machine learning and researchers alike. Its development is a part of ULTERA Project carried under the DOE ARPA-E ULTIMATE program that aims to develop a new generation of materials for turbine blades and related applications.
pqam-rmsadtandoc2023
PyQAlloy-compatible Model for RMSAD prediction based on Tandoc 2023 (https://doi.org/10.1038/s41524-023-00993-x)
pqam-dparamhu2021
PyQAlloy-compatible Model for D Parameter prediction based on Hu 2021 (10.1016/j.actamat.2021.116800)
materialsmap
MaterialsMap is Python package for mapping properties, manufacturing feasibility, and desirability. We focus on guiding materials design graphically while proving API to underlying methods.
pysmartdl2
Modernized fork of the Smart Download Manager for Python by iTaybb with CI testing matrix and other 2024 bells and whistles.
plotmat
A collection of Plotting tools for Materials data from Phases Research Lab at PennState; with pieces useful to the general audience published through PyPI.
