BenchAudit Documentation

BenchAudit is a config-driven audit toolkit for molecular property and drug-target interaction (DTI) benchmarks. These docs focus on scientific usage, methodology, and pipeline behavior.

User Guide

• Getting Started
  • Installation
  • Optional sequence alignment support
  • Quick Start
  • Outputs
• Pipeline Overview
  • Execution flow
  • Supported modalities
  • Core diagnostics
  • Design notes
  • See also
• Scientific Scope
  • Research Questions
  • Benchmark Families
  • Primary Outputs
  • Terminology and Criteria
• Methods
  • Data Ingestion and Standardization
  • Similarity Computation
  • Conflict and Cliff Detection
  • DTI-Specific Diagnostics
  • Baseline Benchmarking
  • Verification
• Configuration and CLI
  • CLI entry points
  • Important CLI flags
  • Config shape (high level)
  • Tabular single-file example
  • Tabular three-path example
  • DTI example
  • Validation behavior

API Reference

• Reference
  • API Objects
  • Core Modules
  • Loaders and Data Preparation
  • Analysis and Baselines
  • Support Utilities

Indices and tables

• Index

• Module Index

• Search Page