mockdock
  • Installation
  • Running Benchmarks
  • Evaluating Results
  • Benchmark Reference & Guide
  • API Reference
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User Guide

  • Installation
  • Running Benchmarks
  • Evaluating Results
  • Benchmark Reference & Guide
    • The Seven Target Benchmarks
    • Scoring Pipeline & Constraints
    • Creating Custom Benchmarks
    • Scripts & Automation

API Reference

  • API Reference
    • Oracle & Scoring
    • Evaluation
    • Docking Backends
    • Medicinal Chemistry Filters
    • Configuration & Loader
    • Ligand Preparation
    • Receptor Preparation
    • Docking Analysis
    • Utilities
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API Reference#

Complete API documentation for mockdock modules, classes, and helper functions.

  • Oracle & Scoring
  • Evaluation
  • Docking Backends
  • Medicinal Chemistry Filters
  • Configuration & Loader
  • Ligand Preparation
  • Receptor Preparation
  • Docking Analysis
  • Utilities
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