Repositories list

• rDock

  Public
  rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.

  drug-discoverydockingvirtual-screening

  C++

  •

  GNU Lesser General Public License v3.0

  •21•51•22•3•Updated Nov 21, 2024Nov 21, 2024

• openduck

  Public
  Open-source DUck (Dynamic Undocking)

  Python

  •

  Apache License 2.0

  •12•8•2•0•Updated Oct 28, 2024Oct 28, 2024

• openduck-tutorial

  Public
  Shell

  •1•0•0•0•Updated Mar 12, 2024Mar 12, 2024

• pyMDmix

  Public
  Python

  •

  MIT License

  •11•13•1•1•Updated Dec 15, 2023Dec 15, 2023

• DUck

  Public
  Dynamic Undocking

  R

  •7•6•1•0•Updated Mar 7, 2022Mar 7, 2022