PypKa
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Content

  • Pypka
  • Getting Started
    • Installation
    • pKa Calculation
    • MD Structure Preparation
    • Using a MD structure
    • Complete Parameters File Template
    • Main Features
  • Development
  • API Reference
  • Useful Links
PypKa
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  • Getting Started
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Getting StartedΒΆ

  • Installation
    • Via pip
    • Via Docker
  • pKa Calculation
    • API
    • CLI
  • MD Structure Preparation
  • Using a MD structure
  • Complete Parameters File Template
  • Main Features
    • Easy to Install
    • Easy to Use
    • API & CLI
    • Fast and accurate
    • Flexibility of Input Structures
    • Lipidic Systems Support
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© Copyright 2021, Pedro B.P.S. Reis, Diogo Vila-Vicosa, Walter Rocchia, Miguel Machuqueiro Revision 01591e0b.

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