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Bump rdkit version (#1304) (#1308)
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* replace deprecated rdkit-pypi with rdkit package

* pin rdkit version to 2023.9.1

Co-authored-by: Daud Ahmed <daudahmed870@gmail.com>
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daud99 and Daud Ahmed authored Oct 12, 2024
1 parent 21c3038 commit 2b251e3
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion ersilia/setup/requirements/compound.py
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ def __init__(self):
self.install()

def install(self):
run_command("python -m pip install rdkit-pypi")
run_command("python -m pip install rdkit==2023.9.1")


class ChemblWebResourceClientRequirement(object):
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