Nicole Hu's repositories
amptorch
AMPTorch: Atomistic Machine Learning Package (AMP) - PyTorch
Language:C++GPL-3.0000
amptorch_gpuacc
Repo for Open Hackathon GPU acceleartion.
ase-espresso
ase interface for Quantum Espresso
Language:PythonNOASSERTION000
Language:Jupyter Notebook000
chbe6746_project
ChBE6746 group 10 project
GMP_AmpTorch_Tests
Test scripts for GMP featurization scheme using AmpTorch
Language:Python000
Language:Jupyter Notebook000
lammps_interface
A barebones interface for lammps
Language:Python000
make_descriptor_simpleNN
Make descriptor from SIMPLE-NN code's cffi scripts.
Language:Python000
model_eval
Package for atomistic model evaluation
Language:PythonMIT000
Language:Python000
n2p2
n2p2 - A Neural Network Potential Package
Language:C++GPL-3.0000
nnff-training
Training materials for neural network force fields
Language:Jupyter NotebookGPL-3.0000
NNSubsampling
Nearest Neighbour Based Subsampling Algorithm for Uniform Subsampling
Language:Jupyter NotebookMIT000