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requirements.txt: specify versions, missing openff #385

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mkrompiec opened this issue Sep 15, 2023 · 0 comments

mkrompiec commented Sep 15, 2023 •

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requirements.txt should specify which versions should be installed. Suggestion:

matplotlib
networkx
numpy
qcelemental
qcengine
rdkit
scipy
torsiondrive
pydantic<2
openff-toolkit<0.11
openff-fragmenter
chemper
ndcctools

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