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tools-and-data
tools-and-data PublicA collection of tools and databases for atomistic machine learning
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MLP-beginners-guide
MLP-beginners-guide PublicStrategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)
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aenet-PyTorch
aenet-PyTorch Publicænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training
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- 2024-AuPd-DFT-data Public
Data for manuscript "In Situ Analysis of Gas Dependent Redistribution Kinetics in Bimetallic Au-Pd Nanoparticles"
atomisticnet/2024-AuPd-DFT-data’s past year of commit activity - aenet-lammps Public
Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)
atomisticnet/aenet-lammps’s past year of commit activity - aenet-PyTorch Public
ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training
atomisticnet/aenet-PyTorch’s past year of commit activity - 2023-hydride-conductors Public
Data for the article "Mixed hydride-electronic conductivity in Rb2CaH4 and Cs2CaH4"
atomisticnet/2023-hydride-conductors’s past year of commit activity
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