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  • Quickstart

API Reference

  • Dataset
  • Visualise
  • Utilities
  • Configuration

Datasets

  • Summary
  • Benchmarks
    • ANI-1ccx
    • ANI-1x
    • QM7
    • QM9
    • rMD17
  • Potential Fitting
    • C-GAP-17
    • C-GAP-20U
    • GO-MACE-23
    • GST-GAP-22
    • P-GAP-20
    • Si-GAP-18
    • SiO2-GAP-22
    • SiOx-ACE-24
  • Synthetic Data
    • a-Si-24
    • AC-2D-22
    • C-SYNTH-23M

Contributing

  • Development
    • Dataset Loading
    • Building the Docs
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