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OpenDAS
dgl
Commits
86cf154b
Unverified
Commit
86cf154b
authored
Oct 29, 2019
by
Mufei Li
Committed by
GitHub
Oct 29, 2019
Browse files
[Misc] Update README(s) (#962)
* Update * Update
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examples/pytorch/cluster_gcn/run_reddit.sh
examples/pytorch/cluster_gcn/run_reddit.sh
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examples/pytorch/dgmg/README.md
examples/pytorch/dgmg/README.md
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examples/pytorch/model_zoo/chem/README.md
examples/pytorch/model_zoo/chem/README.md
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examples/pytorch/cluster_gcn/run_reddit.sh
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python cluster_gcn.py
--gpu
0
--dataset
reddit-self-loop
--lr
1e-2
--weight-decay
0.0
--psize
1500
--batch-size
20
\
python cluster_gcn.py
--gpu
0
--dataset
reddit-self-loop
--lr
1e-2
--weight-decay
0.0
--psize
1500
--batch-size
20
\
--n-epochs
30
--n-hidden
128
--n-layers
0
--log-every
100
--use-pp
--self-loop
\
--n-epochs
30
--n-hidden
128
--n-layers
1
--log-every
100
--use-pp
--self-loop
\
--note
self-loop-reddit-non-sym-ly3-pp-cluster-2-2-wd-5e-4
--dropout
0.2
--use-val
--normalize
--note
self-loop-reddit-non-sym-ly3-pp-cluster-2-2-wd-5e-4
--dropout
0.2
--use-val
--normalize
examples/pytorch/dgmg/README.md
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# Learning Deep Generative Models of Graphs
# Learning Deep Generative Models of Graphs
This is an implementation of
[
Learning Deep Generative Models of Graphs
](
https://arxiv.org/pdf/1803.03324.pdf
)
by
This is an implementation of
[
Learning Deep Generative Models of Graphs
](
https://arxiv.org/pdf/1803.03324.pdf
)
by
Yujia Li, Oriol Vinyals, Chris Dyer, Razvan Pascanu, Peter Battaglia.
Yujia Li, Oriol Vinyals, Chris Dyer, Razvan Pascanu, Peter Battaglia.
For molecule generation, see
[
our model zoo for Chemistry
](
https://github.com/dmlc/dgl/tree/master/examples/pytorch/model_zoo/chem/generative_models/dgmg
)
.
## Dependencies
## Dependencies
-
Python 3.5.2
-
Python 3.5.2
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examples/pytorch/model_zoo/chem/README.md
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@@ -21,6 +21,16 @@ Before you proceed, make sure you have installed the dependencies below:
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@@ -21,6 +21,16 @@ Before you proceed, make sure you have installed the dependencies below:
The rest dependencies can be installed with
`pip install -r requirements.txt`
.
The rest dependencies can be installed with
`pip install -r requirements.txt`
.
## Speed Reference
Below we provide some reference numbers to show how DGL improves the speed of training models per epoch in seconds.
| Model | Original Implementation | DGL Implementation | Improvement |
| -------------------------- | ----------------------- | ------------------ | ----------- |
| GCN on Tox21 | 5.5 (DeepChem) | 1.0 | 5.5x |
| AttentiveFP on Aromaticity | 6.0 | 1.2 | 5x |
| JTNN on ZINC | 1826 | 743 | 2.5x |
## Property Prediction
## Property Prediction
To evaluate molecules for drug candidates, we need to know their properties and activities. In practice, this is
To evaluate molecules for drug candidates, we need to know their properties and activities. In practice, this is
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