Removed pre-trained GNN code (for now)

to avoid having PyTorch Geometric as a dependency.
leojklarner · Nov 3, 2023 · a6da1ab · a6da1ab
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diff --git a/.requirements/base.in b/.requirements/base.in
@@ -5,4 +5,6 @@ rdkit
 tqdm
 selfies
 graphein
-gpytorch
+torch
+gpytorch
+botorch
diff --git a/.requirements/cpu.in b/.requirements/cpu.in
diff --git a/.requirements/cu116.in b/.requirements/cu116.in
diff --git a/.requirements/cu117.in b/.requirements/cu117.in
diff --git a/gauche/kernels/gnn_kernels/pretrained_kernel.py b/gauche/kernels/gnn_kernels/pretrained_kernel.py
diff --git a/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gcn_contextpred.pth b/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gcn_contextpred.pth
diff --git a/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_attrmasking.pth b/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_attrmasking.pth
diff --git a/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_contextpred.pth b/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_contextpred.pth
diff --git a/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_edgepred.pth b/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_edgepred.pth
diff --git a/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_infomax.pth b/gauche/kernels/gnn_kernels/pretrained_params/hu_iclr_2020_gin_infomax.pth