Análisis en la microescala y macroescala de una lámina de material compuesto
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Updated
Jan 17, 2022 - Python
Análisis en la microescala y macroescala de una lámina de material compuesto
A Machine Learning Python package for materials informatics.
A general tool set for working with coarse-grained stk models
This repository is dedicated to the improvement of ionic conductivity in doped LLZO solid-state electrolytes using machine learning models with simplistic descriptors.
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
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.
Bruker's TOPAS X-ray diffraction calculations parser
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
Python package to interact with high-dimensional representations of the chemical elements
Materials Design by Monte Carlo Tree Search
Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.
Defect structure-searching employing chemically-guided bond distortions
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Python package to aid materials design and informatics
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
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