Python Module Index

b | d | f | h | m | s
 
b
mofdscribe.bench
    mofdscribe.bench.ch4dc
    mofdscribe.bench.dummy_models
    mofdscribe.bench.logkHCO2
    mofdscribe.bench.mofbench
    mofdscribe.bench.pbegap
 
d
mofdscribe.datasets
    mofdscribe.datasets.arabg_dataset
    mofdscribe.datasets.arcmof_dataset
    mofdscribe.datasets.bw_dataset
    mofdscribe.datasets.core_dataset
    mofdscribe.datasets.qmof_dataset
    mofdscribe.datasets.structuredataset
    mofdscribe.datasets.thermal_stability_dataset
 
f
mofdscribe.featurizers
    mofdscribe.featurizers.bu.bu_featurizer
    mofdscribe.featurizers.bu.bu_matches
    mofdscribe.featurizers.bu.compositionstats_featurizer
    mofdscribe.featurizers.bu.distance_hist_featurizer
    mofdscribe.featurizers.bu.distance_stats_featurizer
    mofdscribe.featurizers.bu.lsop_featurizer
    mofdscribe.featurizers.bu.nconf20_featurizer
    mofdscribe.featurizers.bu.rdkitadaptor
    mofdscribe.featurizers.bu.shape_featurizer
    mofdscribe.featurizers.bu.smarts_matches
    mofdscribe.featurizers.chemistry.amd
    mofdscribe.featurizers.chemistry.aprdf
    mofdscribe.featurizers.chemistry.energygrid
    mofdscribe.featurizers.chemistry.partialchargehistogram
    mofdscribe.featurizers.chemistry.partialchargestats
    mofdscribe.featurizers.chemistry.racs
    mofdscribe.featurizers.hostguest.host_guest_featurizer
    mofdscribe.featurizers.pore.geometric_properties
    mofdscribe.featurizers.pore.voxelgrid
    mofdscribe.featurizers.topology.atom_centered_ph
    mofdscribe.featurizers.topology.ph_hist
    mofdscribe.featurizers.topology.ph_image
    mofdscribe.featurizers.topology.ph_stats
    mofdscribe.featurizers.topology.ph_vect
 
h
mofdscribe.helpers
 
m
mofdscribe.metrics
    mofdscribe.metrics.adverserial
    mofdscribe.metrics.regression
 
s
mofdscribe.splitters
    mofdscribe.splitters.splitters
    mofdscribe.splitters.utils