Protein Ligand

Module: benchmarks.metrics.protein_ligand

Source: benchmarks/metrics/protein_ligand.py

Overview

Protein-ligand co-design metrics.

This module provides metrics for evaluating protein-ligand co-design models, including binding affinity prediction and molecular validity assessment.

Classes

BindingAffinityMetric

class BindingAffinityMetric

DrugLikenessMetric

class DrugLikenessMetric

MolecularValidityMetric

class MolecularValidityMetric

Functions

init

def __init__()

init

def __init__()

init

def __init__()

compute

def compute()

compute

def compute()

compute

def compute()

Module Statistics

• Classes: 3
• Functions: 6
• Imports: 3