learn/steps in the work
Preparation
Preparation is the work of tidying data already collected: cleaning out errors, filtering, putting values on a common scale, attaching labels, so that it can be analysed or used to train a model.
What it is
Raw measurements are rarely ready for use. Instruments drift, detectors pick up noise, some readings fail outright, and the same quantity may be recorded in different units or on different scales. Preparation is everything done to the data between collecting it and analysing it. Cleaning removes or repairs bad records. Filtering keeps only the measurements that pass a quality test. Normalising rescales values so that different samples, runs or instruments can be compared. Labelling attaches the answer a model is meant to learn, such as what kind of object a signal came from.
Preparation also means deciding what the data will look like to whatever uses it next. Scientists often reduce a long record to a handful of summary quantities, called features, chosen because they carry the information that matters. They may split the data into one part for training a model and a separate part for testing it. Some of these steps are done by hand, some by a rule written in advance, and some by a model trained for the job. Often it is a mixture, with a person checking what the automatic step produced.
Why scientists use it
Analysis assumes that the numbers mean what they claim to mean. A model learns whatever pattern is present in the data it is given, including patterns that come from the instrument rather than from nature. If half the readings are too faint to trust, or if one batch was measured on a warmer day, a model will happily learn that instead of the thing being studied. Preparation is where those problems are removed, or at least made visible, before they turn into a confident wrong answer.
It also stands in for something scarce: a trustworthy set of examples. Many methods need data with the right answer already attached, and that answer usually has to be produced, by a calculation, by an established method or by an expert reading the result. Assembling and checking such a set is often the largest part of the work, and the quality of everything downstream depends on it.
In the record
Limits
Preparation cannot add information that was never measured. Every choice about what to discard is also a choice about what the analysis can see, and a filter set too tightly can remove the rare cases that were the point of looking. Normalising can hide a real difference between batches as easily as it hides an artefact of the instrument. Labels inherited from an older method carry that method's mistakes forward silently. And because these steps are made before the main analysis, their effects are easy to forget and hard to see in the result.
Written by AIxSci: the background from general knowledge, the examples from checked records.
Every article
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Software reads AlphaFold predictions to infer how protein complexes assemble
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Machine learning sorts a simulated polymer into ordered and disordered beads
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AI model trained on protein folding predicts how mutations affect binding
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Neural network trained on simulated data hunts solar wave trains in radio spectra
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Machine learning predicts galaxy 'relicness' from survey measurements, cutting spectroscopy demand
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Reconstructing the early universe's density field with a smoothed map of cosmic structure
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Sparse regression fits crystal force constants to model heat flow and vibrations
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Neural network predicts how titanium alloy grains round off during annealing
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Neural network measures rotation periods for Kepler's main-sequence stars
aix-00222
Neural networks trained on molecule pairs predict light absorption in stacks of fifty
aix-00223
Neural networks weigh cluster X-ray maps to estimate galaxy cluster masses
aix-00227
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Random forest sorts 130 million Magellanic Cloud sources into ten classes
aix-00238
Classifiers label individual TESS brightness readings as planet transits or not
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Neural network ranks gravitational wave triggers in search for neutron star mergers
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Neural networks predict how much ultrasound energy drives magnesia dissolution
aix-00245
Neural network trained on survey data retuned to spot transients for a liquid mirror telescope
aix-00248
Image classifiers flag a gas kink in a young star's disc, pointing to a planet
aix-00251
Astronomers map the mass of galaxy cluster Abell 2744 using lensed images
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Neural networks read a fast radio burst's dispersion straight from its spectrum
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Language models suggest ingredients and firing temperatures for inorganic materials recipes
aix-00209
Neural network turns Kaguya camera images into global maps of lunar surface chemistry
aix-00208
Neural network predicts atomic charges from bond lists, without atomic coordinates
aix-00206
Neural network designs five hard metallic glasses, all confirmed by experiment
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Neural networks stand in for a slow model of interstellar gas clouds
aix-00158
Structure predictions place an uncharacterised human protein in the BRICHOS family
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Microscopy and a trained classifier map which E. coli proteins clump together
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AlphaFold models used to map membrane-crossing segments in human proteins
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Neural networks pick amino acid sequences for short peptides in protein binding sites
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Neural networks trained to find the cutting site on serpin proteins
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Classifier sorts true from false AlphaFold predictions of human protein pairs
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Deep learning sorts crystal structures for single-molecule magnet behaviour
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AlphaFold2 used to predict the shapes of hepatitis E virus copying proteins
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Testing whether symmetry-aware neural networks can tell apart atomic arrangements in perovskites
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Software splits coiled-coil proteins into short windows for AlphaFold to model
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Five structure-prediction models tested on 509 protein–peptide pairs under altered inputs
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Neural network assigns protein domains to structural families from sequence alone
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Neural network scans eleven years of night-sky images for mesospheric wave fronts
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Deep learning reads cryo-EM maps alongside AlphaFold3 models to build protein structures
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AlphaFold's confidence scores used to predict which disordered protein segments bind LC8
aix-00170
Machine learning predicts strength of PLA plastic filled with boron nitride flakes
aix-00171
Neural network fills gaps in protein maps from raw diffraction data
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Machine learning ranks stable materials by predicted superconducting temperature
aix-00145
Repeating-coil proteins designed from random sequences using AlphaFold2 in an evolution loop
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Software models of two cancer proteins used to rank mutations by likely effect
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Model labels which protein residues are active sites and what job they do
aix-00138
AI-labelled protein pairs used to test how well function predictors handle unknown proteins
aix-00136
Diffusion model generates synthetic images of the Sun sorted by flare strength
aix-00173
Machine learning predicts nanofibre thickness from electrospinning settings, tested against new scaffolds
aix-00174
Simulations probe shape-shifting of opium poppy's reticuline-flipping enzyme using a predicted structure
aix-00176
Neural network potentials trained by repeatedly checking where models disagree on hydrogen sticking to copper
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Clustering algorithm sorts cluster stars from background stars in thirteen open clusters
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Regression models predict how graphene loading changes aluminium's electron emission
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Neural network predicts protein pair binding strength from simplified molecular models
aix-00180
Teaching protein language models to rank mutants from a few dozen lab measurements
aix-00181
Protein language model embeddings used to predict succinylation sites in proteins
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Machine learning scores short protein stretches that mark proteins for destruction
aix-00186
Language model trained on protein sequences predicts shape and stability of disordered proteins
aix-00188
Machine learning sorts antibody heavy chains by the germ they target
aix-00189
Benchmarking AI tools that predict and design peptides for cell-surface receptors
aix-00190
A transformer model segments cryo-electron tomograms from three viewing directions at once
aix-00191
Neural network stands in for slow spectral modelling to read 64 stars' chemistry
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Study tests whether AI clean-up of cryo-EM maps harms ligand density
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Researchers train a machine-learned force model to simulate carbon nanotubes' strength and heat limits
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Diffusion model generates glass and silicon structures to order from target properties
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Neural networks sort supernovae and estimate their distances from brightness alone
aix-00128
Phage proteins drawn as pictures, then sorted by image-recognition networks
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Software predictors compare protein floppiness across retinal disease protein sets
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Neural networks swap places with black hole image simulations, both directions
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Machine learning sorts mitochondrial proteins into three compartments from sequence alone
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Neural network potential used to simulate how calcium oxide melts under pressure
aix-00118
Neural networks replace a slow statistical fit to find solar oscillations in Hα images
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Neural network reads protein surfaces to predict DNA and RNA binding
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A shared test set for predicting which enzyme carries out a reaction
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Random atoms settle into molecules and crystals on a learned energy surface
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Protein language model embeddings tested against classical descriptors for spotting resistance genes
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Zero-padding lets one neural network encode crystals with differing element counts
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Deep learning trained on robotic peptide mapping predicts where antibody proteins degrade
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Oxidation potentials for 15,238 molecules assembled from quantum calculations and lab measurements
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Machine learning sorts plant protein sequences into disease-resistance proteins or not
aix-00106
Volunteer labels train a model to find asteroid trails in Hubble archive images
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Neural networks sort 400,000 JWST galaxies to trace when spirals and spheroids appeared
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Simulations map three sodium–bismuth compounds, then models predict their heat-to-electricity performance
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Astronomers test pre-trained image models for sifting telescope alerts
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Weighing the Milky Way's disk reveals a mass excess along the Local Arm
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Two protein design models redesigned T cell receptor contact points on solved structures
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Neural networks estimate dark matter halo masses from a galaxy's neighbours
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Neural network potential used to simulate carbon dioxide moving inside porous frameworks
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Neural network predicts gas pressure in galaxy clusters from dark matter alone
aix-00092
Cryo-EM maps and AlphaFold models explain how two bacterial helper proteins activate an enzyme
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Neural network force field simulates how a ferroelectric crystal's molecules begin to spin
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Neural networks trained on atomic surroundings score how mutations change proteins
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Neural networks recover a simulated barred galaxy's gravity from one snapshot
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Neural networks trained on simulated radio bursts sort real bursts by shape
aix-00083
A compact neural network learns to generate shape-shifting protein structures
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Neural networks turn simulated cluster mass maps into X-ray and SZ images
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Language models trained on protein sequences used to predict sugar-attachment sites
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Machine learning sifts three-colour infrared survey data for cold brown dwarfs
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Changing the training penalty improves how a network spots beta-sheets in blurry protein maps
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Neural networks sift 812,118 quasar spectra for hidden gravitational lenses
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Neural network strips mains-power hum from LIGO data in about a second
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Neural network sifts Gaia data for 160,146 stars born outside the Milky Way
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Neural networks sort eleven years of Mars plasma data into three regions
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Attention patterns inside a protein language model used to cut sequences into reusable units
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Neural network scores candidate composite microstructures in a strength–toughness design loop
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Neural networks rebuild cosmic expansion history to calibrate gamma-ray burst energies
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Machine learning predicts marine steel corrosion from seawater conditions and alloy make-up
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Machine learning sifts 25,000 known materials for quantum-technology host candidates
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Model predicts how fast an enzyme works on a substrate, with uncertainty attached
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Adding a term for the unfolded protein sharpens AI stability predictions
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A search engine for radio galaxy shapes, built on a fine-tuned image-text model
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Machine-learnt stand-in for a planet model cuts interior inference from 42 hours to 8 minutes
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Deep-learning model designs petrol blends from octane and soot targets
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Deep learning tool predicts how single mutations weaken protein partnerships
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Neural networks sift 315,000 galaxy images for rare polar ring systems
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Bayesian program merges X-ray diffraction data from three experiment types in one step
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Benchmark measures how well AlphaFold predicts antibody-antigen complex structures
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Ultrasound-treated clay bleaches cooking oil, with machine learning picking the settings
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Machine learning tool flags protein helices likely to bind DNA or RNA
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Eight machine learning methods sorted supernova gravitational wave signals by nuclear physics model
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Software reconstructs supernova spectra and physical properties from brightness measurements alone
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Neural networks stand in for slow galaxy clustering calculations in cosmology analyses
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Neural network maps cosmic voids, walls and filaments from sparse galaxy tracers
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Two unsupervised methods compress fast radio burst spectra into a handful of numbers
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Astronomers hunt dust-buried young star clusters in eleven nearby galaxies
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Statistical model of 5,441 perovskite solar cells predicts efficiency and suggests recipes
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Machine learning predicts whether a dying massive star explodes, from its density profile
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Hubble and Webb images reveal a candidate massive touching binary star in WLM
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Four million simulated X-ray patterns used to test 21 crystal-symmetry classifiers
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GPT-4 reads band gap values from paper sentences to train better predictors
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Kepler planets sorted by host star's Galactic orbit show differing eccentricities
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Neural network built from physics equations extracts solder deformation coefficients
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Neural network turns galaxy shape distortions into maps of invisible cluster mass
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Neural network writes amino acid sequences to fit fixed protein backbones
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Keck spectra pin down distances for six gravitational lenses found by a neural network
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Software spotted a nearby supernova and booked a telescope within minutes
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Cryo-EM maps show water shifting in actin filaments as they age
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Neural networks read infrared spectra to work out how CO sits on platinum
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Algorithm picks starting powders and temperatures for making inorganic materials
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Machine learning picks a new metal mixture, which casting and X-rays confirm
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Software works out protein shapes from electron microscope images using statistics
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Neural network reads a million star spectra to measure temperature and chemistry
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Neural network sifts Kepler signals and validates 301 new exoplanets
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Neural network sorts six hundred thousand noise blips in LIGO gravitational-wave data
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Telescope targets chosen nightly by a classifier learning from its own spectra
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Neural network picks bright exploding stars from sky survey alerts and books telescope time
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Transformer model predicts how gas-storing crystals take up gases, replacing slow simulations
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Neural network segments 650 battery particles to measure their detachment after cycling
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Machine-learned force model simulates silicon-oxygen structures from glass surfaces to monoxide grains
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A learning algorithm ran a synchrotron beamline to find a phase-change material
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Neural network locates single protein particles in cryo-electron microscope images
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Neural network predicts protein atom positions from amino acid sequence alone
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Protein shapes computed from patterns of change across families of related sequences
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Cryo-tomography maps the myosin filament inside relaxed mouse heart muscle
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Researchers map the sixteen-part Commander complex using crystals, cryo-EM and AlphaFold2
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Deep learning turns raw NMR spectra into protein structures without human intervention
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