ModuleNotFoundError: No module named 'esm.model' about diffdock HOT 4 CLOSED

To me this sounds like the installation did not go through successfully.
Are you sure that pip install -e . worked?

also make sure that the esm directory is inside the DiffDock directory

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I am also running into this error. I can confirm that pip install -e . worked as shown in the output below

DiffDock/esm$ pip install -e .
Defaulting to user installation because normal site-packages is not writeable
Obtaining file:///home/jwfeng/DiffDock/esm
Installing build dependencies ... done
Checking if build backend supports build_editable ... done
Getting requirements to build editable ... done
Preparing editable metadata (pyproject.toml) ... done
Building wheels for collected packages: fair-esm
Building editable for fair-esm (pyproject.toml) ... done
Created wheel for fair-esm: filename=fair_esm-2.0.0-0.editable-py3-none-any.whl size=15609 sha256=563a7d26bf1fc69acec2728576c34d5a8a2f0413e7ece9b96ca8874c5f966875
Stored in directory: /tmp/pip-ephem-wheel-cache-l1vhzzhp/wheels/78/23/40/de59da61f4dde966143b7d99afbba0198e237a8e01216d41b6
Successfully built fair-esm
Installing collected packages: fair-esm
Attempting uninstall: fair-esm
Found existing installation: fair-esm 2.0.0
Uninstalling fair-esm-2.0.0:
Successfully uninstalled fair-esm-2.0.0
Successfully installed fair-esm-2.0.0

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Updating PYTHONPATH fixed the issue.

PYTHONPATH=$PYTHONPATH:~/DiffDock/esm

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Great, thanks for the update!

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