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Update README.md
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Qinqing Liu committed Nov 17, 2020
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#### Octree Generation Example
Provide one example data 1A1E, also in refined-set.

Following steps can generate the points and build the OctSurf. (Default density for points is 6, and depth for OctSurf is 10.)

We also provide python tool to parse the generated OctSurf, and visualize it by generating vtk files that can visualize in Paraview.
```angular2
cd pdbbind/data_example/pdbbind
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#### CNN modeling
- prepare the data
First it will generate the points file for each complex in general, refined, core set. (The density of points can be specificed, low resolution OctSurf can use low density points to accelerate the process, here for depth=6 model, we use density 3. Can be specified in .sh file)

Then the points and labels will be transformed into tfrecords file.
```angular2
bash data_prepare_model.sh
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- test performance
Specify the config files (the path for pretrained model/test dataset, network architecture, iterations etc)

Test the pre-trained model on test dataset, and report the performance.
```angular2
python test_reg_ave.py --config configs/test_resnet_depth6.yaml
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