Unverified Commit 86cf154b authored by Mufei Li's avatar Mufei Li Committed by GitHub
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[Misc] Update README(s) (#962)

* Update

* Update
parent a6d5a0cb
...@@ -2,5 +2,5 @@ ...@@ -2,5 +2,5 @@
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
# 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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...@@ -21,6 +21,16 @@ Before you proceed, make sure you have installed the dependencies below: ...@@ -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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