data-resources-for-materials-scienceA list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
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premiseCoupling Integrated Assessment Models output with Life Cycle Assessment.
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atomaiDeep and Machine Learning for Microscopy
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matador⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode materials.
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waspyWASP framework for Python
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phoebeA high-performance framework for solving phonon and electron Boltzmann equations
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pyGAPSA framework for processing adsorption data and isotherm fitting
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ONCVPseudoPackCollection of ONCVPSP pseudopotentials for density-functional theory calculations
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warpcontinuous energy monte carlo neutron transport in general geometries on GPUs
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tildeMaterials informatics framework for ab initio data repositories
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goatThis is the home of Geo Open Accessibility Tool (GOAT)
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thermo pwThermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
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snapRepository for spectral neighbor analysis potential (SNAP) model development.
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tdmmsTwo-dimensional materials manufacturing system
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gtfs-serverGTFS API Server, written in Rust
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olympusOlympus: a benchmarking framework for noisy optimization and experiment planning
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DataBridge.NETConfigurable data bridge for permanent ETL jobs
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lamipyComposite laminates engineering simulations in Python.
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chemiscopeAn interactive structure/property explorer for materials and molecules
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go-libutpGo wrapper of libutp reference uTP C implementation
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open-gatOpen source software for geographic transport data analysis and planning
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CrabNetPredict materials properties using only the composition information!
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CatKitGeneral purpose tools for high-throughput catalysis
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pfhubThe CHiMaD Phase Field Community Website
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