Index

A

actions (chemreporter.config_schemas.QueryDBConfig attribute)

B

basis_set (chemreporter.config_schemas.SourceDatabaseMetadata attribute)

C

chemreporter.config_schemas module

columns (chemreporter.config_schemas.RestrictToConfig attribute) correction_term (chemreporter.config_schemas.SourceDatabaseMetadata attribute)

D

database_format (chemreporter.config_schemas.ProcessDBConfig attribute)

database_name (chemreporter.config_schemas.ProcessDBConfig attribute)

E

enable (chemreporter.config_schemas.GraphBasedProcessingConfig attribute)

ExportHDF5Config (class in chemreporter.config_schemas) extras_fields (chemreporter.config_schemas.ExportHDF5Config attribute)

F

functional (chemreporter.config_schemas.SourceDatabaseMetadata attribute)

G

graph_based_processing (chemreporter.config_schemas.ProcessDBConfig attribute)

GraphBasedProcessingConfig (class in chemreporter.config_schemas)

K

keys_path (chemreporter.config_schemas.ExportHDF5Config attribute)

M

model_config (chemreporter.config_schemas.ExportHDF5Config attribute) (chemreporter.config_schemas.GraphBasedProcessingConfig attribute) (chemreporter.config_schemas.ProcessDBConfig attribute) (chemreporter.config_schemas.QueryDBConfig attribute) (chemreporter.config_schemas.RestrictToConfig attribute) (chemreporter.config_schemas.SourceDatabaseMetadata attribute)

module chemreporter.config_schemas

N

nb_atoms_limit (chemreporter.config_schemas.GraphBasedProcessingConfig attribute)

num_files_to_export (chemreporter.config_schemas.ExportHDF5Config attribute) num_workers (chemreporter.config_schemas.ExportHDF5Config attribute)

O

output_path (chemreporter.config_schemas.ExportHDF5Config attribute)

P

path_to_values (chemreporter.config_schemas.RestrictToConfig attribute)

ProcessDBConfig (class in chemreporter.config_schemas) processing_chunk_size (chemreporter.config_schemas.ProcessDBConfig attribute)

Q

query (chemreporter.config_schemas.QueryDBConfig attribute) query_database_path (chemreporter.config_schemas.ExportHDF5Config attribute) (chemreporter.config_schemas.ProcessDBConfig attribute) (chemreporter.config_schemas.QueryDBConfig attribute)

QueryDBConfig (class in chemreporter.config_schemas)

R

restrict_to (chemreporter.config_schemas.QueryDBConfig attribute)

RestrictToConfig (class in chemreporter.config_schemas) results_path (chemreporter.config_schemas.QueryDBConfig attribute)

S

sampling (chemreporter.config_schemas.QueryDBConfig attribute) source_database_metadata (chemreporter.config_schemas.ProcessDBConfig attribute) source_database_path (chemreporter.config_schemas.ProcessDBConfig attribute)

SourceDatabaseMetadata (class in chemreporter.config_schemas) split_name (chemreporter.config_schemas.ProcessDBConfig attribute) subsets_skip_list (chemreporter.config_schemas.GraphBasedProcessingConfig attribute)