Open christopher-beckham opened 2 years ago
Thanks for your interest in design-bench!
Can you try this with numpy==1.18.5, which is the version of numpy that we used here: https://github.com/brandontrabucco/design-baselines/blob/master/requirements.txt? Let me know if you have any additional questions.
-Brandon
Hi @brandontrabucco
Thanks for that. Can't believe I missed that requirements.txt file. However, upon correctly downgrading to 1.18.5 (verified it with np.__version__
) I get this:
>>> import design_bench
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/home/beckhamc/.local/lib/python3.7/site-packages/design_bench/__init__.py", line 4, in <module>
from design_bench.oracles.feature_extractors.\
File "/home/beckhamc/.local/lib/python3.7/site-packages/design_bench/oracles/feature_extractors/morgan_fingerprint_features.py", line 5, in <module>
from deepchem.feat.smiles_tokenizer import SmilesTokenizer
File "/home/beckhamc/.local/lib/python3.7/site-packages/deepchem/__init__.py", line 8, in <module>
import deepchem.data
File "/home/beckhamc/.local/lib/python3.7/site-packages/deepchem/data/__init__.py", line 7, in <module>
from deepchem.data.datasets import pad_features
File "/home/beckhamc/.local/lib/python3.7/site-packages/deepchem/data/datasets.py", line 18, in <module>
from numpy.typing import ArrayLike
ModuleNotFoundError: No module named 'numpy.typing'
Installing 1.21.1 seems to fix this however.
I am still having this issue, neither using numpy 1.21.1 nor 1.18.5 seems to be fixing it.
Hi @erfanhamdi
This is a bit of a late response but I had to setup a fresh environment lately for Design Bench and found that 1.22.0
worked.
If you're still interested in using Design Bench I am working on my own fork which fixes some of these issues, it seems like the current code requires some much older dependencies like this version of numpy.
Hi,
After following the instructions in the readme (creating a new environment
mbo
with the required dependencies) and trying to create a new task, I get the following error:It seems like
loads
does not exist in this version of Numpy ('1.22.3'). Changing the method call tonp.load(...)
also does not fix the issue and throws another error.Thanks.