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Merge branch 'main' of github.com:SanderBorgmans/gpxrdpy
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SanderBorgmans committed Aug 3, 2023
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Expand Up @@ -26,3 +26,5 @@ A version of gpxrdpy is also implemented in pyiron at https://github.com/SanderB
* `numpy` - library for scientific computing in python
* `scipy` - library for scientific computing in python
* `molmod` - collection of molecular modelling tools for python (https://github.com/molmod/molmod)

Additional installation instructions can be found in the [documentation](https://sanderborgmans.github.io/gpxrdpy/).

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