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Search results for material materials informatics
material
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materials-informatics
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18 search results found
Pymatgen
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1,254
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Awesome Materials Informatics
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310
Curated list of known efforts in materials informatics = modern materials science
Jarvis
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260
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94A
Chemml
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142
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
Bestpractices
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142
Things that you should (and should not) do in your Materials Informatics research.
Crabnet
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65
Predict materials properties using only the composition information!
Shakenbreak
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63
Defect structure-searching employing chemically-guided bond distortions
Bgolearn
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49
A Bayesian global optimization package for material design | Adaptive Learning | Active Learning
Smiles X
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38
Autonomous characterization of molecular compounds from small datasets without descriptors
Mpds Api
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23
Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science
Tilde
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19
Materials informatics framework for ab initio data repositories
Masci Tools
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17
Post-processing toolkit for electronic structure calculations
Pytopomat
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15
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
Pumml
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11
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.
Pysipfenn
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10
Python toolset for structure-informed prediction of materials properties with (1) effortless extensibility and (2) optimizations for ordered and dilute atomic configurations.
Materials Designer
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9
A standalone React.js/Redux based web application for the design and visualization of atomistic materials structures. Used at Mat3ra.com and can be deployed in standalone mode.
Tutorial
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7
Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)
Smact_workflows
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7
Computational experiments using SMACT for materials design
Esse
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6
JSON schemas and examples representing structural data, characteristic properties, modeling workflows and related data about materials standardizing the diverse landscape of information
Made.js
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6
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.
Quantum_esperanto
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5
Very fast parser for the XML logs produced with the VASP, Vienna Ab initio Simulation Package
Synthesis Api
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5
Codebase for Synthesis Project API server
Synthesis Database Public
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5
Codebase for compiling a database of materials syntheses
Optimade Client
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5
Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
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1-18 of 18 search results
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