NVIDIA NIM for DiffDock

DiffDock

• Overview
  • Training Dataset
• Release Notes
  • Release 2.2.0
    • Summary
    • Key Features
  • Release 2.1.0
    • Summary
  • Release 2.0.1
    • Summary
  • Release 1.2.0
    • Summary
  • Release 1.1.0
    • Summary
  • Release 1.0.0
    • Summary
• Support Matrix
  • Supported Hardware
    • Minimum System Hardware Requirements
    • Supported NVIDIA GPUs
  • Testing Locally Available Hardware
• Getting Started
  • Prerequisites
    • NGC (NVIDIA GPU Cloud) Account
    • NGC CLI Tool
  • Launch DiffDock NIM
  • Run Inference
  • Dump Generated Poses
  • Stopping the Container
• Configure NIM
  • View NIM Container Information
  • Pull the container image
    • Docker
    • NGC
  • Runtime Parameters for the Container
  • Run Multiple Instances on the Same Host
  • Model Checkpoint Caching
  • Logging
  • NIM Telemetry
    • Benefits
    • Configuration
• API Reference
• Advanced Usage
  • Run Inference with Bash Script
  • Run Inference for Batch-Docking
  • Batch-Docking using SMILES
• Performance
  • Accuracy Benchmarks
  • Speed Benchmarks
  • Benchmark Hardware
  • Benchmark Data
• EULA