Name		Name	Last commit message	Last commit date
Latest commit History 113 Commits
CNN		CNN
AUC_matrix.py		AUC_matrix.py
Data_PyTorch.py		Data_PyTorch.py
GlassBatchMolGraph.py		GlassBatchMolGraph.py
GlassDataset_PyTorch.py		GlassDataset_PyTorch.py
GlassMetadata.py		GlassMetadata.py
PVD_and_LC_2D-Dan.py		PVD_and_LC_2D-Dan.py
README.md		README.md
analyze_attention_pooling.py		analyze_attention_pooling.py
augmentation_PyTorch.py		augmentation_PyTorch.py
average_LC_energy.py		average_LC_energy.py
average_PVD_energy.py		average_PVD_energy.py
batch_PyTorch.py		batch_PyTorch.py
clip_energy_DASH.py		clip_energy_DASH.py
combine_rdf.py		combine_rdf.py
compare_cooling_curves.py		compare_cooling_curves.py
compose_PyTorch.py		compose_PyTorch.py
compute_energies.sbatch		compute_energies.sbatch
coords_config.py		coords_config.py
create_logger.py		create_logger.py
cross_validate.py		cross_validate.py
dataloader_PyTorch.py		dataloader_PyTorch.py
density_analysis.py		density_analysis.py
distance_PyTorch.py		distance_PyTorch.py
evaluate.py		evaluate.py
evaluate_glasses_dataset.py		evaluate_glasses_dataset.py
graph_metric_analysis.py		graph_metric_analysis.py
hyperparameter_optimization.py		hyperparameter_optimization.py
isolated_PyTorch.py		isolated_PyTorch.py
isolated_nodes_check.py		isolated_nodes_check.py
lc_2D-Dan.py		lc_2D-Dan.py
loop_PyTorch.py		loop_PyTorch.py
make_coords.py		make_coords.py
make_coords.sbatch		make_coords.sbatch
model.py		model.py
mpn.py		mpn.py
nngraph_PyTorch.py		nngraph_PyTorch.py
normalize_trajectories.py		normalize_trajectories.py
parsing.py		parsing.py
predict.py		predict.py
pvd_2D-Dan.py		pvd_2D-Dan.py
pvd_2D.py		pvd_2D.py
run.sh		run.sh
run_evaluation.py		run_evaluation.py
run_hyperparameter_optimization.sbatch		run_hyperparameter_optimization.sbatch
run_hyperparameter_optimization.sh		run_hyperparameter_optimization.sh
run_lc.sh		run_lc.sh
run_pvd.sh		run_pvd.sh
run_rdf.py		run_rdf.py
run_rdf_aws.py		run_rdf_aws.py
run_training.py		run_training.py
run_training.sbatch		run_training.sbatch
tmp_cooling_curves.py		tmp_cooling_curves.py
to_lammps.py		to_lammps.py
train.py		train.py
undirected_PyTorch.py		undirected_PyTorch.py
utils.py		utils.py
visualize_attention_pooling.py		visualize_attention_pooling.py
visualize_bond_attention_pooling.py		visualize_bond_attention_pooling.py
visualize_configurations.py		visualize_configurations.py
visualize_rdf.py		visualize_rdf.py

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glassML

Deep learning analysis of simulated glassy materials

ks8/glassML

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