datasets
Training and evaluation data, with the modality, task and licence stated up front. Listed live from the Hugging Face Hub.
feni-nanoparticles
Machine learning-based prediction of FeNi nanoparticle magnetization
Public data for "Machine learning-based prediction of FeNi nanoparticle magnetization", F. Williamson et al., Journal of Materials Research and Technology (2024). https://doi.org/10.1016/j.jmrt.2024.10.142.
ML Scripts
ML scripts are available on GitHub.
Data
Nanoparticles were simulated using LAMMPS.
A single LAMMPS input script from this extended repository was modiffied to obtain various NP… See the full description on the dataset page: https://huggingface.co/datasets/Ailurion/feni-nanoparticles.nano-syn-catalytic-nanoparticle-activation-failure-v0.1Goal
Predict catalytic activation failure.
This is the failure mode wherenanoparticles sinter or restructureand activity collapses.
The key signal
Conversion and structure metricsstop moving together.
Inputs
reactor temperature
space velocity
conversion and selectivity
in situ XRD crystallite size
BET surface area
sintering indicator
Required outputs
activation_coherence_score
decoupling_flag
decoupling_type
activity_loss_horizon_hr
sintering_risk
stabilization_intervention_set
Decoupling… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/nano-syn-catalytic-nanoparticle-activation-failure-v0.1.nano-syn-nanoparticle-surface-ligand-decoupling-v0.1Goal
Detect ligand decoupling.
This is the failure mode where:
Ligand metricsstop predictingfunctional stability and targeting.
A batch can look acceptableby ligand density alonewhile zeta potential, size, and bindingdrift into failure.
Inputs
ligand density
zeta potential
hydrodynamic diameter
aggregation rate
in vitro binding efficiency
stability window
Required outputs
ligand_coherence_score
decoupling_flag
decoupling_type
targeting_failure_probability
aggregation_risk… See the full description on the dataset page: https://huggingface.co/datasets/ClarusC64/nano-syn-nanoparticle-surface-ligand-decoupling-v0.1.