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gauche
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.github\workflows\build.yaml
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.github\workflows\code-style.yaml
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benchmarks\benchmark_models.py
4 3 -
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benchmarks\gpytorch_metrics.py
8 3 -
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benchmarks\run_benchmark.py
9 5 1
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conda_env.yml
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docs\_config.yml
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docs\source\conf.py
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gauche\__init__.py
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gauche\data_featuriser\__init__.py
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gauche\data_featuriser\featurisation.py
20 1 1
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gauche\dataloader\__init__.py
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gauche\dataloader\data_utils.py
2 1 -
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gauche\dataloader\dataloader.py
10 1 -
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gauche\dataloader\mol_prop.py
21 1 -
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gauche\dataloader\reaction_loader.py
15 1 -
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gauche\kernels\fingerprint_kernels\base_fingerprint_kernel.py
11 1 -
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gauche\kernels\fingerprint_kernels\tanimoto_kernel.py
3 1 -
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gauche\kernels\gnn_kernels\pretrained_kernel.py
21 1 -
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notebooks\pretrained_kernel.py
9 2 -