Kaggle Competition Nomad2018 Discussions and Kernels
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Updated
Mar 5, 2018
Kaggle Competition Nomad2018 Discussions and Kernels
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
SMACT app for outreach
Workflow Definitions for Digital Materials/Chemistry R&D
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.
A Machine Learning Python package for materials informatics.
This repository is dedicated to the improvement of ionic conductivity in doped LLZO solid-state electrolytes using machine learning models with simplistic descriptors.
A general tool set for working with coarse-grained stk models
ExPrESS: Exabyte Property Extractor, Sourcer, Serializer. A python package allowing to extract and standardize materials data from native format for physics-based simulation engines.
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
Database for Materials
XGBoost models to classify materials with metal-insulator transition behavior
Ermac is a standalone MPDS platform GUI to be embedded in any website
Example usage of Exabyte.io platform through its RESTful API: programmatically create materials and modeling workflows, execute simulations on the cloud, analyze data and build machine learning models
Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
Computing solar energy conversion limits using the Trap Limited Conversion (TLC) metric
Genetic Lookup for Apt Substances
JSON schemas and examples representing structural data, characteristic properties, modeling workflows and related data about materials standardizing the diverse landscape of information
Materials Design in Javascript (made.js). A JavaScript (Node) library allowing for the creation and manipulation of material structures from atoms up on the web.
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