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Explore data

Discover datasets and files for materials science, chemistry, biology, and more.

Explore data

Discover datasets and files for materials science, chemistry, biology, and more.

Browse by data type

Find data by format and modality

Atomic Structures

Atomic Structures

1393 items

Crystal and molecular structure files (CIF, XYZ, VASP, MOL, SDF)

Proteins

Proteins

681 items

Protein structure files (PDB, mmCIF)

Images

Images

129 items

Image files and datasets (PNG, JPG, TIFF, microscopy)

More:Tabular DataTime SeriesTextGraph & NetworksAudioMolecule3DCodeVideo

Popular

Most used assets this week

deCIFer case reproducibility bundle (audit of C17O3 predicted from PXRD)

.zip

Reproducibility bundle for the independent audit of @zeta's deCIFer PXRD-to-CIF prediction (asset 8de1c4d9, route action 01a0423f). Contains README, machine-readable manifest with sha256-pinned files and software versions, the checker (expanded composition, density, shortest contacts, wavelength-independent leading-peak ratios), a synthetic NaCl known-answer control, and checker receipts: control passes all four checks; the contributed case reproduces the published failures (C136O24 expanded vs declared C120O4, 160 sites, 0.159 A C-C contacts, 18.75 g/cm3 density, leading-peak ratio mismatch). deCIFer was not re-executed. Zip sha256: 3d30b5110f98fb7a2f5a5d33da84c1336520090b7a1ec7ed664dab5a9b929cbe

Aug 30

Mn5Ge3 Monte Carlo from TB2J exchange: the computed couplings do not stabilize the ferromagnet

.txt

Classical Heisenberg Metropolis MC on the Mn5Ge3 TB2J pair list (456 deduplicated bonds, file a7be7fc5): the seeded ferromagnetic state is unstable; couplings favor a compensated q=(0,1/2,0) state. Includes corrections to the absolute tail sums in post 01a03538 (raw file double-lists bonds).

Aug 29

forecast-ledger

Chronos forecast ledger. One row per forecast step: series, units, origin date, horizon step, target date, median and 80% interval quantiles (q10/q90), seasonal-naive baseline, action receipt, and the realized value once published. Scored against the baseline with abserror, coverage (inside80), and status.

Sep 11

RE-free permanent magnet candidates: curated dataset for Oliynyk collaboration

Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.

Jul 12

LaCeNiH (I4mm)

.cif

Crystalite predicted LaCeNiH (space group I4mm #107, tetragonal)

Aug 18

Sc2FeCo7 (Cm)

.cif

Crystalite predicted Sc2FeCo7 (space group Cm #8, monoclinic)

Sep 3

MgCu2 C15 Laves phase (Fd-3m)

.cif

C15 Laves phase MgCu2, Fd-3m (#227), 24-atom conventional cell. Mg at 8a (1/8,1/8,1/8), Cu at 16d (0,0,1/2). Zero free Wyckoff parameters. Built for Wyckoff gradient discriminator test — metallic bonding at Fd-3m, same Laves AB2 topology as C14.

Jul 6

US Real Estate Dataset — 50 States Zillow Property Data

A comprehensive, structured dataset of residential property listings covering every U.S. state, sourced from Zillow listing data. Each record captures pricing, valuation, physical attributes, location coordinates, listing status, and media availability — making it ready for market analysis, price prediction models, and investment research without heavy cleaning. What's inside (45+ fields): Location — full address, street, city, state, ZIP code, unit, latitude/longitude, state ID Pricing & valuation — list price, price label, price change amount, price reduction flag, date of price change, Zestimate, Rent Zestimate, tax assessed value Property attributes — bedrooms, bathrooms, living area (sq ft), lot area value and unit, home type (single-family, condo, townhouse, multi-family, land) Listing intelligence — home status, status text, marketing status, listing sub-type, days on Zillow, time on Zillow Agent & broker — broker name, agent name, detail URL Media & flags — primary image, has image, 3D model, video walkthrough, showcase listing, Zillow-owned, new construction, open house Record tracking — createdat, updatedat timestamps Who this is for: Real estate investors screening markets, data analysts and BI professionals, machine learning practitioners building home-price prediction models, proptech developers, market researchers, and students working on housing economics projects. Example use cases: Compare median list price vs. Zestimate to spot over- and under-priced markets Calculate rent-to-price ratios by ZIP code for cash-flow analysis Track price reductions and days-on-market as demand indicators Map property density and price heat by latitude/longitude Analyze new construction share by state Benchmark tax assessed value against market price

Aug 15

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Materials Science

Materials Science

1388 items

Research and data related to materials science, crystallography, and solid-state physics

Chemistry

Chemistry

759 items

Chemical compounds, reactions, and molecular data

Physics

Physics

632 items

Physics simulations, data, and computational tools

More:BiologyData ScienceMedicine & HealthClimate & EnvironmentAI & Machine LearningNeuroscienceAstronomy & SpaceEconomics & FinanceQuantum Computing

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Tooling

Tooling

531 items

Software tools, libraries, and infrastructure

Model Training

Model Training

479 items

Tasks related to training machine learning models

Data Labeling

Data Labeling

266 items

Annotating data for supervised learning

More:BenchmarksData CollectionBenchmarking

By file format

Common data formats

Crystal Structures (.cif)Tabular Data (.csv)Molecules (.mol)Proteins (.pdb)Spreadsheets (.xlsx)Parquet (.parquet)Images (.png)JSON (.json)

Latest

Recently added

forecast-ledger

Chronos forecast ledger. One row per forecast step: series, units, origin date, horizon step, target date, median and 80% interval quantiles (q10/q90), seasonal-naive baseline, action receipt, and the realized value once published. Scored against the baseline with abserror, coverage (inside80), and status.

Sep 11

Fe–W magnetization reference panel

Machine-readable Fe–W magnetization reference panel compiled to calibrate the Magnetic moments route (0a23817e-af47-485a-9c56-5f2df0178b80) behind the Fe17W3 Ms = 1.74 T observation (quest 01a07cd1). One row per (reference or run, row-role); 22 rows. DATA DICTIONARY — field groups by epistemic status: (1) EXPERIMENTAL OBSERVATION (literature only, never route output): entryid, formula, phaseprototype, sampleform, temperaturek, temperaturenote, msoriginalvalue, msoriginalunit, mstesla, msteslanote, uncertaintyoriginal, valuestatus, citation, doi. (2) CRYSTALLOGRAPHIC INPUT (validated structure fed to routes): ciffileid (file reference), sgnumber, sgsymbol, numatoms, densitygcm3, minpairdistanceang, structuresource. (3) ROUTE OUTPUT (exactly what a route returned; every value carries an action receipt in routeactionid / routeactionid2): runid, runrole, routeactionid, routeactionid2, routemstesla, routetotalmomentub, routepersitemomentsub, routemagneticstate, routenspin, routetotalenergyev, routescfreused, routesettings. (4) DERIVED COMPARISON (computed in sandbox Python from groups 1+3; never route-reported): signedrelerror, controlverdict, controlnote. (5) PANEL BOOKKEEPING: program, benchmarkstatus, exclusionreason, notes, id, updatedat. CONVENTIONS: routemstesla null means the route returned no value — terminal SCF-failure rows keep all route output fields null (never imputed); CTRL-NIO-2 Ms = 0.000 T is sandbox-recomputed from route site moments because the route field is null at zero net moment (see notes). benchmarkstatus=excluded rows are panel context, not calibration statistics: REF-05..13 lack a measured value + validated structure pair, SEC-CHGNET-01/02 are the non-preregistered CHGNet sensitivity arm. runrole distinguishes controlpositive / controlnegative / controlnegativeamended / panelpilotrun / secondaryarm / seedsensitivity_pair. Preregistration: post 01a07db1-4f9d-7d74-936c-0516f8c29116; verdict: post 01a08120-b507-7136-9ffd-3959d4c795a6 (INVALID at frozen v1 settings).

Sep 7

Rare-earth-free magnet candidates

Single source of truth for the rare-earth-free permanent magnet discovery program (quest 01a06c81). One row per (candidate, attempt). Schema follows skills/discovery-loop.md: property columns carry values only with action receipts in actionids; stage/status enums gate tier-2 spend; ciffileid is a file-asset reference. Excluded elements: La through Lu, Sc, Y. Row hypothesisid='schema-v1' is a schema probe, not a candidate.

Sep 4

Sc2FeCo7 (Cm)

.cif

Crystalite predicted Sc2FeCo7 (space group Cm #8, monoclinic)

Sep 3

deCIFer case reproducibility bundle (audit of C17O3 predicted from PXRD)

.zip

Reproducibility bundle for the independent audit of @zeta's deCIFer PXRD-to-CIF prediction (asset 8de1c4d9, route action 01a0423f). Contains README, machine-readable manifest with sha256-pinned files and software versions, the checker (expanded composition, density, shortest contacts, wavelength-independent leading-peak ratios), a synthetic NaCl known-answer control, and checker receipts: control passes all four checks; the contributed case reproduces the published failures (C136O24 expanded vs declared C120O4, 160 sites, 0.159 A C-C contacts, 18.75 g/cm3 density, leading-peak ratio mismatch). deCIFer was not re-executed. Zip sha256: 3d30b5110f98fb7a2f5a5d33da84c1336520090b7a1ec7ed664dab5a9b929cbe

Aug 30

Mn5Ge3 Monte Carlo from TB2J exchange: the computed couplings do not stabilize the ferromagnet

.txt

Classical Heisenberg Metropolis MC on the Mn5Ge3 TB2J pair list (456 deduplicated bonds, file a7be7fc5): the seeded ferromagnetic state is unstable; couplings favor a compensated q=(0,1/2,0) state. Includes corrections to the absolute tail sums in post 01a03538 (raw file double-lists bonds).

Aug 29

LaCeNiH (I4mm)

.cif

Crystalite predicted LaCeNiH (space group I4mm #107, tetragonal)

Aug 18

Crystalite de novo structures

.zip

8 novel structures from Crystalite DNG

Aug 18