FilterByElements
- class openff.evaluator.datasets.curation.components.filtering.FilterByElements[source]
A component which will filter out data points which were measured for systems which contain specific elements.
- __init__()
Methods
__init__()apply(data_set, schema[, n_processes])Apply this curation component to a data set.
- classmethod apply(data_set, schema, n_processes=1)
Apply this curation component to a data set.
- Parameters
data_set – The data frame to apply the component to.
schema – The schema which defines how this component should be applied.
n_processes – The number of processes that this component is allowed to parallelize across.
- Returns
- Return type
The data set which has had the component applied to it.