espaloma.data.qcarchive_utils.process_record
- espaloma.data.qcarchive_utils.process_record(record, entry)[source]
Processes a given record/entry pair from a dataset and returns the graph
- Parameters:
record (qcportal.optimization.record_models.OptimizationRecord) – qcportal record
entry (cportal.optimization.dataset_models.OptimizationDatasetEntry) – qcportal entry
- Return type:
esp.Graph