Pinned Repositories
amptorch
AMPTorch: Atomistic Machine Learning Package (AMP) - PyTorch
amptorch_gpuacc
Repo for Open Hackathon GPU acceleartion.
ase-espresso
ase interface for Quantum Espresso
bdqm-vip
chbe6746_project
ChBE6746 group 10 project
conformal_prediction_in_latent_space
ds4allwomen_team20
GMP_AmpTorch_Tests
Test scripts for GMP featurization scheme using AmpTorch
invANNPresentationFolder
lammps_interface
A barebones interface for lammps
nicoleyghu's Repositories
nicoleyghu/conformal_prediction_in_latent_space
nicoleyghu/amptorch
AMPTorch: Atomistic Machine Learning Package (AMP) - PyTorch
nicoleyghu/amptorch_gpuacc
Repo for Open Hackathon GPU acceleartion.
nicoleyghu/ase-espresso
ase interface for Quantum Espresso
nicoleyghu/bdqm-vip
nicoleyghu/chbe6746_project
ChBE6746 group 10 project
nicoleyghu/ds4allwomen_team20
nicoleyghu/GMP_AmpTorch_Tests
Test scripts for GMP featurization scheme using AmpTorch
nicoleyghu/invANNPresentationFolder
nicoleyghu/lammps_interface
A barebones interface for lammps
nicoleyghu/make_descriptor_simpleNN
Make descriptor from SIMPLE-NN code's cffi scripts.
nicoleyghu/model_eval
Package for atomistic model evaluation
nicoleyghu/molecule_rxn
nicoleyghu/n2p2
n2p2 - A Neural Network Potential Package
nicoleyghu/nnff-training
Training materials for neural network force fields
nicoleyghu/NNSubsampling
Nearest Neighbour Based Subsampling Algorithm for Uniform Subsampling
nicoleyghu/subsample_on_traj