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Update text to match Paperspace setup
- Change requirements in intro cell
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get-started/PyG-SchNetGNN.ipynb

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"\n",
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"Requirements:\n",
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"\n",
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"* A Poplar SDK environment enabled (see the Getting Started guide for your IPU system\n",
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"* Python packages installed with `pip install -r requirements.txt`\n"
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"* Paperspace account with access to the PyTorch IPU runtime\n",
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"* Python packages in `requirements-pyg.txt`, installed below\n"
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]
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},
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{
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"* [torch_geometric.data.DataLoader](https://pytorch-geometric.readthedocs.io/en/latest/modules/data.html#torch_geometric.data.DataLoader)\n",
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"\n",
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"The PyG dataloader supports a form of mini-batching which is [decribed here](https://pytorch-geometric.readthedocs.io/en/latest/notes/batching.html). Effectively each mini-batch is a concatenation of multiple graphs (molecules in QM9). Another way to understand this is that each mini-batch is one large graph comprised of multiple disconnected sub-graphs. The PyG dataloader will generate a `batch` vector that assigns each feature in the mini-batch into a distinct subgraph. This is useful for message passing networks (such as SchNet) and pooling layers to produce a distinct regression prediction for each molecule. Refer to the following tutorials for additional background:\n",
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"The PyG dataloader supports a form of mini-batching which is [described here](https://pytorch-geometric.readthedocs.io/en/latest/notes/batching.html). Effectively each mini-batch is a concatenation of multiple graphs (molecules in QM9). Another way to understand this is that each mini-batch is one large graph comprised of multiple disconnected sub-graphs. The PyG dataloader will generate a `batch` vector that assigns each feature in the mini-batch into a distinct subgraph. This is useful for message passing networks (such as SchNet) and pooling layers to produce a distinct regression prediction for each molecule. Refer to the following tutorials for additional background:\n",
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"\n",
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"* [Creating message passing networks](https://pytorch-geometric.readthedocs.io/en/latest/notes/create_gnn.html)\n",
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"* [Global Pooling Layers](https://pytorch-geometric.readthedocs.io/en/latest/modules/nn.html?highlight=pooling#global-pooling-layers)\n",
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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 3.6.9 ('pygnb')",
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"display_name": "Python 3",
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"language": "python",
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"name": "python3"
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},
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.8.13"
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"version": "3.8.10"
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},
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"orig_nbformat": 4,
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"vscode": {
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"interpreter": {
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"hash": "5918304a9e1be506ae80f1c157e6e427d374131e966ae13a9bf2405fbc3138af"
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}
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}
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},
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"nbformat": 4,
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"nbformat_minor": 2
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"nbformat_minor": 4
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}

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