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Releases: wolberlab/OpenMMDL

0.9.2.4

11 Sep 18:52
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Final fix for correct version for conda-forge

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Full Changelog: 0.9.2.3...0.9.2.4

0.9.2.1

02 Sep 17:28
bcf7674
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Hotfix patch.
Fixes errors during installation with python 3.11 and python 3.12

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Full Changelog: 0.9.2...0.9.2.1

v.0.9.2

24 Jul 08:55
26e6c47
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Full Changelog: Release...0.9.2

v.0.9.1

15 May 09:59
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First OpenMMDL release contains:

  • OpenMMDL Setup: web page for setting up protein-ligand OpenMM MD simulations
  • OpenMMDL Simulation: script for MD Simulation performance with further postprocessing
  • OpenMMDL Analysis: Analysis of protein ligand interactions during the simulation with interaction fingerprint generation and display of the interactions and most prominent binding modes.

VT