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  • Installation
  • Quickstart
  • Guides
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  • API reference
  • Contributing
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Structures and tensors

  • Concepts
    • Architecture
    • Tensors and data objects
    • Terminology
  • Structure I/O and visualization
  • Model and structure integrations
  • Model coordinate inputs
  • GPU batching
  • CPU threading

Scoring and modeling

  • Scoring and analysis
  • Packing
  • Minimization and FastRelax
  • Protein-interface analysis
  • Ligand Preparation
  • Nucleic acids

Extension and performance

  • Extending TMol
  • Benchmarking
  • Guides
  • Concepts

Concepts#

Molecular data, tensor layouts, and scoring conventions.

  • Architecture
  • Tensors and data objects
  • Terminology

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