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Here's a simple failing test script:
```
import deepchem as dc
import numpy as np
from rdkit import Chem
smiles = ["C", "CC"]
featurizer = dc.feat.WeaveFeaturizer(use_chirality=True)
X = feat…
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given a geometry, is it possible to tag isolated volumes in the domain that are not connected to the main volume of the domain (e.g the volume shown in red below)
![image](https://user-images.githubu…
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using this code:
~~~js
const c=n.a.get("API.lemonade.url"),d=n.a.get("API.lemonade.urlLinear"),u=n.a.get("API.lemonade.urlVod"),p=n.a.get("API.lemonade.platform"),m=n.a.get("API.lemonade.timeout")…
3052 updated
5 months ago
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In my opinion, the generated file of "AG-FPs" includes some features of the input SMILES, and it should be used for the input of the maching learning models(eg: ST-DNN, MT-DNN) to predict some charact…
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I am trying to run the emotion detection on the `Jetson Nano`
Trying to increase the inference speed of the model by trying to convert it into `TENSORRT` with the guidance of [tf_to_trt_image_class…
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## 🚀 Feature
I notice that currently only `SAGEConv` and `PointConv` support `NeighborSampler` in PyG, could you make `NeighborSampler` supported for more Conv layer like `GATConv`.
## Motivat…
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Hi,
I have a classification task for texts that have many emojis and I am trying to understand if the latest version of BERT supports them.
The latest commit message in master (d66a146) suggests t…
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Hi,
I am trying to perform Link Prediction task on [Citation dataset v10](https://www.aminer.org/citation) using GraphSAGE. I have been following the following [docs.](https://stellargraph.readthed…
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Hi there, It's me again. Sorry for spamming issues.
I loaded [univ-bench.owl](http://swat.cse.lehigh.edu/onto/univ-bench.owl) as stated on the [sparql usage page](https://www.derivo.de/products/koncl…
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我们图上的组合优化问题,例如 Graph maxcut,下面的论文提出了对图结构进行了编码的方案:
- 论文 Learning Combinatorial Optimization Algorithms over Graphs (宋乐教授)
- 代码 https://github.com/Hanjun-Dai/graphnn
直接复现上面的代码,因为版本问题,不容易,我有以下建议:
-…