A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
-
Updated
May 14, 2024 - Python
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Python package to aid materials design and informatics
Predict materials properties using only the composition information!
A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.
Predict materials properties using only the composition information!
Computational experiments using SMACT for materials design
Composition-based predictions for chemically novel, high-temperature superconductors.
Python project for predicting if alloy compositions will solidify as single-phase solid solutions.
Add a description, image, and links to the materials-screening topic page so that developers can more easily learn about it.
To associate your repository with the materials-screening topic, visit your repo's landing page and select "manage topics."