Index

_

_getChiralScore() (SybaClassifier method)

A

ALL_OFF_FRAGS_SCORE (SybaClassifier attribute)

B

bitstring_to_int() (DistributionMetrics static method)

build_cost_matrix() (DistributionMetrics static method)

C

calculateScore() (in module syba.syba) chiral_scores (SybaClassifier attribute)

compute_chi() (DistributionMetrics static method) compute_kernel_matrix() (DistributionMetrics static method) compute_loss() (QCBM method), [1]

D

data (QCBM attribute) distribution_metrics module

DistributionMetrics (class in distribution_metrics) draw() (QCBM method), [1]

F

fitDefaultScore() (SybaClassifier method) fitFromCountFile() (SybaClassifier method)

fitFromScoreFile() (SybaClassifier method) fragment_contribution() (SybaClassifier method) fragments (SybaClassifier attribute)

G

getEnvironment() (in module syba.syba)

getFragmentSmiles() (in module syba.syba)

I

int_to_bitstring() (DistributionMetrics static method)

K

K (MMD attribute) k_expval() (MMD method), [1]

kernel_expectation() (DistributionMetrics static method) kl_divergence() (DistributionMetrics static method)

M

main() (in module syba.syba) mergeFragmentCounts() (in module syba.syba) mixture_gaussian_pdf() (MixtureGaussianData class method), [1] MixtureGaussianData (class in qiskit_addon_qcbm.datasets), [1] MMD (class in qiskit_addon_qcbm.born_machine), [1] mmd_loss() (DistributionMetrics static method) (MMD method), [1]

module distribution_metrics qiskit_addon_qcbm, [1], [2] qiskit_addon_qcbm.born_machine, [1] qiskit_addon_qcbm.datasets, [1] syba syba.syba

N

neighbourhood (SybaClassifier attribute) normalize_probs() (DistributionMetrics static method)

num_layers (QCBM attribute) num_qubits (QCBM attribute)

P

plot_compare_model_and_target_probs() (QCBM method), [1] pNS (SybaClassifier attribute) predict() (SybaClassifier method)

predict_with_only_present_fragments() (SybaClassifier method) print() (QCBM method), [1] probs_to_bitstrings() (DistributionMetrics static method) processFile() (in module syba.syba)

Q

QCBM (class in qiskit_addon_qcbm.born_machine), [1] qiskit_addon_qcbm module, [1], [2]

qiskit_addon_qcbm.born_machine module, [1] qiskit_addon_qcbm.datasets module, [1]

R

rbf_kernel() (DistributionMetrics static method)

rbf_sigmas (MMD attribute)

S

safe_log() (DistributionMetrics static method) sinkhorn_kernel() (DistributionMetrics static method) sinkhorn_loss() (DistributionMetrics static method) sinkhorn_report() (DistributionMetrics static method) SmiMolSupplier() (in module syba.syba)

syba module syba.syba module SybaClassifier (class in syba.syba)

T

train() (QCBM method), [1]

W

writeCountFile() (in module syba.syba)

writeScoreFile() (in module syba.syba)