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A small fix for #47#48

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pbuslaev wants to merge 3 commits intodeGrootLab:developdeGrootLab/pmx:developfrom pbuslaev:developpbuslaev/pmx:developCopy head branch name to clipboard

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Commits on Jun 25, 2024

• Changed scipy simps import due to API change

  pbuslaev

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  8b0e986

Commits on Aug 20, 2024

• Merge branch 'deGrootLab:develop' into develop

  pbuslaev

  authored
  49dc83e

• Update ligand_alchemy.py

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  pbuslaev

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  bcf15aa