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Unable to compute tutorial delaney_NN #199

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estahlberg opened this issue Feb 12, 2023 · 0 comments
Open

Unable to compute tutorial delaney_NN #199

estahlberg opened this issue Feb 12, 2023 · 0 comments

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@estahlberg
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The import for the following does not appear to work for Ubuntu installation. Followed tutorial for GPU install from tutorial but this ubuntu install does not have GPU accessible.

import atomsci.ddm.pipeline.model_pipeline as mp

Error reported:
ModuleNotFoundError Traceback (most recent call last)
/tmp/ipykernel_350/2125024097.py in
----> 1 import atomsci.ddm.pipeline.model_pipeline as mp

~/anaconda3/lib/python3.9/site-packages/atomsci/ddm/pipeline/model_pipeline.py in
46 f.close()
47
---> 48 from atomsci.ddm.pipeline import model_datasets as model_datasets
49 from atomsci.ddm.pipeline import model_wrapper as model_wrapper
50 from atomsci.ddm.pipeline import featurization as feat

~/anaconda3/lib/python3.9/site-packages/atomsci/ddm/pipeline/model_datasets.py in
11 import deepchem as dc
12 import uuid
---> 13 from atomsci.ddm.pipeline import featurization as feat
14 from atomsci.ddm.pipeline import splitting as split
15 from atomsci.ddm.utils import datastore_functions as dsf

~/anaconda3/lib/python3.9/site-packages/atomsci/ddm/pipeline/featurization.py in
18 from atomsci.ddm.utils import datastore_functions as dsf
19 from atomsci.ddm.pipeline import transformations as trans
---> 20 from atomsci.ddm.pipeline import parameter_parser as pp
21 from atomsci.ddm.pipeline import model_datasets as md
22 from atomsci.ddm.pipeline import model_pipeline as mp

~/anaconda3/lib/python3.9/site-packages/atomsci/ddm/pipeline/parameter_parser.py in
11
12 import deepchem.models as dcm
---> 13 import deepchem.models.torch_models as dcmt
14 import deepchem.feat as dcf
15 import inspect

~/anaconda3/lib/python3.9/site-packages/deepchem/models/torch_models/init.py in
4 logger = logging.getLogger(name)
5
----> 6 from deepchem.models.torch_models.torch_model import TorchModel
7 from deepchem.models.torch_models.attentivefp import AttentiveFP, AttentiveFPModel
8 from deepchem.models.torch_models.cgcnn import CGCNN, CGCNNModel

~/anaconda3/lib/python3.9/site-packages/deepchem/models/torch_models/torch_model.py in
1 import numpy as np
----> 2 import torch
3 try:
4 import torch.utils.tensorboard
5 _has_tensorboard = True

ModuleNotFoundError: No module named 'torch'

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