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v1.0.0 [paper version]

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@ricalessandri ricalessandri released this 19 Oct 01:11
9b8521d

Release corresponding to the database published with Adv. Theory. Simul. 2022, 5, 2100391.

The key contents of these repo are:

  • Martini 3 models (and associated files) for 90 small molecules
  • A tutorial on how to parametrize small molecules within the Martini 3 framework
  • The building block reference table to guide bead type choice in Martini 3