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Updated the README to use a more concise format for model configuration options and hyperparameters.
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README.md

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@@ -88,75 +88,31 @@ python -m chebai fit --trainer=configs/training/default_trainer.yml --trainer.lo
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To use a GAT-based model, choose **one** of the following configs:
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- **Atom–Motif–Graph Node Pooling**
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```bash
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--model=../python-chebai-graph/configs/model/gat_aug_amgpool.yml
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```
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- **Atom-Augmented Node Pooling**
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```bash
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--model=../python-chebai-graph/configs/model/gat_aug_aagpool.yml
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```
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- **Standard Pooling**
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```bash
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--model=../python-chebai-graph/configs/model/gat.yml
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```
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- **Atom–Motif–Graph Node Pooling**: `--model=../python-chebai-graph/configs/model/gat_aug_amgpool.yml`
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- **Atom-Augmented Node Pooling**: `--model=../python-chebai-graph/configs/model/gat_aug_aagpool.yml`
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- **Standard Pooling**: `--model=../python-chebai-graph/configs/model/gat.yml`
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#### GAT-specific hyperparameters
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- **Number of message-passing layers**
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```bash
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--model.config.num_layers=5 # Default: 4
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```
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- **Attention heads**
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```bash
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--model.config.heads=4 # Default: 8
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```
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*Note: The number of heads should be divisible by the output channels (or hidden channels if output channels are not specified).*
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- **Use GATv2**
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```bash
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--model.config.v2=True # Default: False
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```
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- **Number of message-passing layers**: `--model.config.num_layers=5` (default: 4)
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- **Attention heads**: `--model.config.heads=4` (Default: 8)
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> Note: The number of heads should be divisible by the output channels (or hidden channels if output channels are not specified).
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- **Use GATv2**: `--model.config.v2=True` (default: False)
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#### **ResGated Architecture**
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To use a ResGated GNN model, choose **one** of the following configs:
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- **Atom–Motif–Graph Node Pooling**
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```bash
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--model=../python-chebai-graph/configs/model/res_aug_amgpool.yml
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```
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- **Atom-Augmented Node Pooling**
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```bash
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--model=../python-chebai-graph/configs/model/res_aug_aagpool.yml
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```
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- **Standard Pooling**
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```bash
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--model=../python-chebai-graph/configs/model/resgated.yml
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```
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- **Atom–Motif–Graph Node Pooling**: `--model=../python-chebai-graph/configs/model/res_aug_amgpool.yml`
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- **Atom-Augmented Node Pooling**: `--model=../python-chebai-graph/configs/model/res_aug_aagpool.yml`
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- **Standard Pooling**: `--model=../python-chebai-graph/configs/model/resgated.yml`
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#### **Common Hyperparameters**
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These can be used for both GAT and ResGated architectures:
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- **Dropout**
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```bash
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--model.config.dropout=0.1 # Default: 0
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```
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- **Number of final linear layers**
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```bash
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--model.n_linear_layers=2 # Default: 1
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```
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- **Dropout**: `--model.config.dropout=0.1` (default: 0)
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- **Number of final linear layers**: `--model.n_linear_layers=2` (default: 1)
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# Random Node Initialization
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