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The following are the results I obtained after executing the file train_SRGCAE_Local.py.
![SRGC…
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## 🔨Work Item
**IMPORTANT:**
* This template is only for dev team to track project progress. For feature request or bug report, please use the corresponding issue templates.
* DO NOT create a new…
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## 🐛 Bug
Standard featurizers like GraphConv and AtomicConvFeaturizer no longer featurize PDB Bind dataset loaded with `load_pdbbind()` or if they do, result in incompatible dataset datatypes with …
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I have encountered such a mistake：
Traceback (most recent call last):
File "main.py", line 6, in
from models.losses import chamfer_distance
File "/home/lab505/gpu_point2mesh/models/loss…
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Hi, tkipf, i run GCN on NELL dataset. I have watched the closed issue #14 and edit the code, but i still have the same problem.
this is the errore output:
Traceback (most recent call last):
File …
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Why AttributeError: 'GINEConv' object has no attribute '_explain'?
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Hi, there are some updates to the Spektral's Convolutional layers:
A_in = Input(tensor=sp_matrix_to_sp_tensor(fltr)) will lead to failure
And GraphConv has been removed as well.
I will be r…
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## Environment
* OS: MacOS
* Python version: 3.11
* DeepChem version: 2.8.0
* RDKit version (optional): 2024.3.1
* TensorFlow version (optional): 2.16.2
* PyTorch version (optional):
## …
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Dear All,
The molecular featurization is done using ECFP or GraphConv or etc. This converts the single molecule to appropriate format for machine learning. Does deepchem have the capability to do f…
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**Description:**
Hello everyone, I'm new to deepchem.
And I had run the exampl in this website: https://deepchem.io/docs/notebooks/graph_convolutional_networks_for_tox21.html
I run the whole exampl…