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Predicting polymerization reactions via transfer learning using chemical lang...
Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks... -
Mechanism of charge transport in lithium thiophosphate
Lithium ortho-thiophosphate (Li₃PS₄) has emerged as a promising candidate for solid-state-electrolyte batteries, thanks to its highly conductive phases, cheap components, and... -
Predicting polymerization reactions via transfer learning using chemical lang...
Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks... -
Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian fo...
Metal surfaces have long been known to reconstruct, significantly influencing their structural and catalytic properties. Many key mechanistic aspects of these subtle... -
MAAT, MAP and pH in soils and peats
Branched glycerol dialkyl glycerol tetraethers (brGDGTs) are a family of bacterial lipids which have emerged over time as robust temperature and pH paleoproxies in continental... -
Compilation of Branched GDGT data from globally distributed altitudinal trans...
Branched glycerol dialkyl glycerol tetraethers (brGDGTs) are a family of bacterial lipids which have emerged over time as robust temperature and pH paleoproxies in continental... -
Electronic excited states from physically-constrained machine learning
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should... -
Electronic excited states from physically-constrained machine learning
Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should... -
A genetic optimization strategy with generality in asymmetric organocatalysis...
A catalyst possessing a broad substrate scope, in terms of both turnover and enantioselectivity, is sometimes called “general”. Despite their great utility in asymmetric... -
Map of livestock grazing in semi-natural areas in the European Union and Unit...
Livestock grazing throughout Europe has resulted in high diversity of semi-natural areas in past centuries. Currently, most low intensity grazing relying on semi-natural... -
PCB-Vision: A Multiscene RGB-Hyperspectral Benchmark Dataset of Printed Circu...
PCB-Vision Dataset Description: The PCB-Vision dataset is a multiscene RGB-Hyperspectral benchmark dataset comprising 53 Printed Circuit Boards (PCBs). The RGB images are... -
Inverting the Kohn-Sham equations with physics-informed machine learning
This data repository contains the datasets used in the paper "Inverting the Kohn-Sham equations with physics-informed machine learning". It contains the data... -
Syntetiska bilder av koraller (Desmophyllum pertusum) med objektigenkänningmo...
Two object detection models using Darknet/YOLOv4 were trained on images of the coral Desmophyllum pertusum from the Kosterhavet National Park. In one of the models, the training... -
Reconstructing Global Chlorophyll-a Variations Using a Non-linear Statistical...
Monitoring the spatio-temporal variations of surface chlorophyll-a concentration (Chl, a proxy of phytoplankton biomass) greatly benefited from the availability of continuous... -
The MSC Data Set
From this page you can download resources we created for modal sense classification as reported in Zhou et al. (2015), Marasović et al. (2016) and Marasović and Frank (2015)... -
SPAᴴM(a,b): encoding the density information from guess Hamiltonian in quantu...
Recently, we introduced a class of molecular representations for kernel-based regression methods — the spectrum of approximated Hamiltonian matrices (SPAᴴM) — that takes... -
GOCE ML-calibrated magnetic field data
The Gravity field and steady-state ocean circulation explorer (GOCE) satellite mission carries three platform magnetometers. After careful calibration, the data acquired through... -
Adolescents Mental Health and Cognitive Ability
The data set includes data about the Palestinian children mental health status and cognitive ability living in political violent environment -
From organic fragments to photoswitchable catalysts: the off-on structural re...
Structurally and conformationally diverse databases are needed to train accurate neural networks or kernel-based potentials capable of exploring the complex free energy... -
Spatial+ Cross-Validation (SP-CV) experiments datasets and codes
This data includes all datasets and codes for implementing spatial+ cross-validation experiments. Except for datasets and code, Reademe.txt explains each file's meaning,...