A Machine Learning Python package for materials informatics.
-
Updated
Aug 5, 2024 - Python
A Machine Learning Python package for materials informatics.
Kaggle Competition Nomad2018 Discussions and Kernels
This repository provides code demonstrations and data to illustrate the application of Bgolearn in materials design.
Computational experiments using SMACT for materials design
The goal of this 'project' is to make a very simple, understandable and clean boilerplate for any electron app. Feel free to update or report bugs
Workflow Definitions for Digital Materials/Chemistry R&D
A spin-off code of the 'Voronoi PCC Analyser' software project. Created as a simulation tool for nucleation-and-growth (NAG) structure evolution processes based on the discrete combinatorial representation of 2D and 3D polycrystalline materials.
Análisis en la microescala y macroescala de una lámina de material compuesto
FUSION-MAP is an ontology development project for green hydrogen field, representing the domain knowledge specifically related to systems data management/design and computational materials science.
XGBoost models to classify materials with metal-insulator transition behavior
Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
SMACT app for outreach
Python package to interact with high-dimensional representations of the chemical elements
A general tool set for working with coarse-grained stk models
Genetic Lookup for Apt Substances
ExPrESS: Exabyte Property Extractor, Sourcer, Serializer. A python package allowing to extract and standardize materials data from native format for physics-based simulation engines.
Computing solar energy conversion limits using the Trap Limited Conversion (TLC) metric
Bruker's TOPAS X-ray diffraction calculations parser
Database for Materials
Ermac is a standalone MPDS platform GUI to be embedded in any website
Add a description, image, and links to the materials-design topic page so that developers can more easily learn about it.
To associate your repository with the materials-design topic, visit your repo's landing page and select "manage topics."