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Issues: doyle-lab-ucla/auto-qchem
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Gaussian inputs for differents computational parameters have same name
bug
Something isn't working
wontfix
This will not be worked on
#12
opened Dec 9, 2022 by
truejulosdu13
DB Descriptors: duplicate molecules results in sum of molecule descriptors not Boltzmann average
bug
Something isn't working
#8
opened Apr 13, 2022 by
samellis
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