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MolPy

Getting Started

MolCrafts/molpy

MolPy

MolCrafts/molpy

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Tutorials
Tutorials
- Get Running
  Get Running
- The Data Model
  The Data Model
- Appendix
  Appendix
  - Naming Conventions
  - Glossary
Guides
Guides
- Foundations
  Foundations
  - Parsing Chemistry
- Chain & Network Construction
  Chain & Network Construction
- Polymer Topologies
  Polymer Topologies
- Parameterization
  Parameterization
  - Force Field Typification
- Geometry & Packing
  Geometry & Packing
- Export & Engines
  Export & Engines
  - File I/O
  - Simulation Engines
- Tools & Ecosystem
  Tools & Ecosystem
Compute
Compute
- Structure
  Structure
  - NeighborList
  - RDF
  - Density
  - Diffraction
  - PMFT
- Distributions
  Distributions
  - Distribution
  - Spatial
- Order
  Order
  - Order
  - Environment
- Shape & Clustering
  Shape & Clustering
- Bonds & Voronoi
  Bonds & Voronoi
  - HBond
  - Voronoi
- Transport
  Transport
  - MSD
  - PMSD
  - JACF
  - Onsager
  - Persist
  - VACF
- Dynamics
  Dynamics
  - Van Hove
  - Reorientation
- Spectroscopy
  Spectroscopy
- Workflow
API Reference
API Reference
- Core
- Parser
- Builder
- Packing
- Conformer
- Typifier
- Potentials
- I/O
- Adapter
- Wrapper
- Engine
- Optimization
- Compute
- Data
Developer Guide
Developer Guide
- Contributing
  Contributing
- Architecture
  Architecture
  - Architecture Overview
  - molrs Backend
- Extending MolPy
  Extending MolPy

Getting Started¶

This section merged into Tutorials, which now covers the whole learning path — installation, quickstart, examples, and the data model — in one place.