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QCPortal
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Getting Started

  • Install QCPortal

Collections

  • Overview
  • Exploring the Datasets
  • Reaction Dataset
  • Optimization Dataset
  • TorsionDrive Dataset
  • Common Tasks

Records

  • Overview
  • Results
  • Optimization
  • API

Fractal Client

  • Portal Client
  • Add/Query Objects
  • Records Querying
  • New Compute Tasks
  • API

Developer Documentation

  • Glossary
  • REST API
  • Changelog
QCPortal
  • Docs »
  • Overview: module code

All modules for which code is available

  • pydantic.main
  • qcelemental.models.molecule
  • qcelemental.models.procedures
  • qcelemental.models.results
  • qcfractal.interface.collections.torsiondrive_dataset
  • qcportal.collections.dataset
  • qcportal.collections.optimization_dataset
  • qcportal.collections.reaction_dataset
  • qcportal.models.common_models
  • qcportal.models.gridoptimization
  • qcportal.models.records
  • qcportal.models.rest_models
  • qcportal.models.torsiondrive

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