xtb molecular optimization: Semiempirical quantum mechanical molecular optimization method

toolshed.g2.bx.psu.edu/repos/recetox/xtb_molecular_optimization/xtb_molecular_optimization/6.6.1+galaxy36.6.1+galaxy3

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UseGalaxy.eu (6.6.1+galaxy3)

This is a guess, we are not currently checking if that is actually present.

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  • 6.6.1+galaxy3
  • 6.6.1+galaxy1

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