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tools-and-data
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aenet-PyTorch
aenet-PyTorch Publicænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training
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Automated Workflow for Data Generation: Gaussian Process Regression (GPR) Surrogate Models for MLP
atomisticnet/aenet-gpr’s past year of commit activity - aenet-lammps Public
Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)
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DFT Data; Ionic Liquid as Li Salt Enables High-Voltage Ether Electrolyte in Li Metal Battery
atomisticnet/2024-LiCoO-electrolytes-Li-DFT-Data’s past year of commit activity - 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-PyTorch Public
ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training
atomisticnet/aenet-PyTorch’s past year of commit activity
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