Getting Started:
User Guide:
Examples:
API Documentation:
settings
Database
DirectoryDatabase
GraphModule
IdxType
NPZDatabase
Predictor
active_directory()
hierarchical_energy_initialization()
load_checkpoint()
load_checkpoint_from_cwd()
load_model_from_cwd()
log_terminal()
reload_settings()
set_custom_kernels()
setup_and_train()
setup_training()
test_model()
train_model()
compute_evaluation_order()
copy_subgraph()
find_relatives()
find_unique_relative()
get_connected_nodes()
get_subgraph()
make_ensemble()
replace_node()
idx_atom_molatom()
idx_molatom_atom()
Full Documentation for hippynn.graphs.indextransformers.atoms module. Click here for a summary page.
hippynn.graphs.indextransformers.atoms
Nodes for atom index state conversion