Table 1 Survey of current web apps for materials discovery.

From: MaterialsAtlas.org: a materials informatics web app platform for materials discovery and survey of state-of-the-art

App name	URL	Institute	App functions	Comment
MaterialsAtlas	www.materialsatlas.org	UofSC	Composition/structure validation, property prediction, screening of materials, ML, composition enumeration, and more	This work.
MaterialsAtlas	www.materialsatlas.org	UofSC		Easy to use.
Materials project¹⁷	materialsproject.org	Lawrence Berkeley National Lab	Crystal toolkit, structure predictor, phase diagram, Pourbaix Diagram, reaction calculator, interface reaction, nanoporous materials analysis, and synthesis description search	Major public repository.
Materials project¹⁷	materialsproject.org	Lawrence Berkeley National Lab		Good web apps.
Aflowlib¹⁸	aflowlib.org	Duke	Elastic, thermal, prototype, chull, aflow-ML for superconductor Tc, free energy and entropy, metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature, and heat capacities	Outdated descriptor methods
OQMD¹⁹	oqmd.org/analysis	Northwestern Univ.	Phase diagram, structure visualizer, and ground state analysis	Limited analysis web apps
JARVIS²¹	jarvis.nist.gov	NIST	Web ML tools for diverse property predictions (regression/classifications)	Account needs approval.
JARVIS²¹	jarvis.nist.gov	NIST		CFID descriptors.
Crystal.AI³¹	crystals.ai	UCSD	Prediction models of formation energy, bandgap, elastic constants, perovskite/garnet stability, and coordination from X-ray absorption spectroscopy	Characterization and property prediction
Matgenie³⁸	matgenie.materialsvirtuallab.org	UCSD	Materials analysis web app. Structure file format conversion;symmetry analysis; structure similarity comparison; XRD calculation; and surface generation	Utility tools
Materials Cloud³⁹	materialscloud.org/work/tools	EPFL	QE input generator, chemical shift, molecular polarizability, phonon visualizer, synthesis condiction finder, predicting oxidation states, atomic environment finder, electron transport, and simulation in cloud (AiiDA)	Mainly utility tools
Bilbao crystallographic server¹¹¹	www.cryst.ehu.es	Univ. of Basque Country	Show Wyckoff positions, symmetry, and structure utility	Utility tools
Thermoelectric³³	thermoelectrics.citrination.com	Citrine	Predict thermoelectric materials properties	Commercial solution
NIMS³⁴	mits.nims.go.jp/en/	Japan Nat. inst. of Mat. Sci.	Various databases and Composite Design & Property Prediction System	Rich databases & Data Conversion Tools
SUNCAT⁴¹	catalysis-hub.org	Stanford Univ.	Database and tools for interface science and catalysis design	Diagrams, ML models, and diverse tools
Polymer design⁴⁰	reccr.chem.rpi.edu/polymerdesign	RPI	ML for polymer design	Materials design tool
Matlearn³⁶	matlearn.org	Univ.of Houston	Predict Formation energy and create composition diagrams using ML to guide synthetic chemistry	Inorganic materials design tool
USPEX⁴²	uspex-team.org/en	Skoltech	Crystal structure prediction	Binary program
CALYPSO⁴³	calypso.cn/cdg	Jilin Univ. China	Crystal structure prediction	Binary program
JAMIP¹¹²	www.jamip-code.com/	Jilin Univ. China	Platform for feature engineering, data preprocessing, ML model building, property calculation, hpc computing management	Not web server.
JAMIP¹¹²	www.jamip-code.com/	Jilin Univ. China		Tool to run DFT jobs ML

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Table 1 Survey of current web apps for materials discovery.

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