Molecular Flows

Module: benchmarks.metrics.molecular_flows

Source: benchmarks/metrics/molecular_flows.py

Overview

Molecular flows evaluation metrics for SE(3)-equivariant models.

Classes

MolecularFlowsMetrics

class MolecularFlowsMetrics

Functions

init

def __init__()

chemical_validity

def chemical_validity()

compute

def compute()

conformational_diversity

def conformational_diversity()

energy_consistency

def energy_consistency()

validate_inputs

def validate_inputs()

Module Statistics

• Classes: 1
• Functions: 6
• Imports: 6