Protein Ligand Suite

Module: benchmarks.suites.protein_ligand_suite

Source: benchmarks/suites/protein_ligand_suite.py

Overview

Protein-ligand co-design benchmark suite.

This module provides a comprehensive benchmark suite for evaluating protein-ligand co-design models, targeting the Week 5-8 objectives:

• Binding affinity RMSE <1.0 kcal/mol
• Molecular validity >95%
• Drug-likeness QED >0.7

Classes

ProteinLigandBenchmarkSuite

class ProteinLigandBenchmarkSuite

ProteinLigandCoDesignBenchmark

class ProteinLigandCoDesignBenchmark

Functions

init

def __init__()

init

def __init__()

run

def run()

run_all

def run_all()

Module Statistics

• Classes: 2
• Functions: 4
• Imports: 9