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Merge pull request #20 from ChEB-AI/fix/inference-dependencies Lint #66: Commit 8c2fd41 pushed by sfluegel05
14s dev
dev
14s
new chebi data class for new readers Lint #65: Commit 13384ac pushed by aditya0by0
14s thesis_augmented_gnn
thesis_augmented_gnn
14s
move vis script to results Lint #64: Commit 36102f8 pushed by aditya0by0
16s thesis_augmented_gnn
thesis_augmented_gnn
16s
add few more ablation study aug readers Lint #63: Commit b205560 pushed by aditya0by0
12s thesis_augmented_gnn
thesis_augmented_gnn
12s
move networkx call to read_data / reformatting with ruff Lint #62: Pull request #20 opened by aditya0by0
11s fix/inference-dependencies
fix/inference-dependencies
11s
update pyproject for inference Lint #61: Commit cd2655d pushed by aditya0by0
12s fix/inference-dependencies
fix/inference-dependencies
12s
dyanmic import for nx Lint #60: Commit f34fe80 pushed by aditya0by0
13s fix/inference-dependencies
fix/inference-dependencies
13s
fix mol props for as per node data cls Lint #59: Commit 4a1e82b pushed by aditya0by0
10s thesis_augmented_gnn
thesis_augmented_gnn
10s
add aug rdkit norm prop Lint #58: Commit 84c170b pushed by aditya0by0
13s thesis_augmented_gnn
thesis_augmented_gnn
13s
explicit float32 tensors for property encoders Lint #57: Commit bed7ebe pushed by aditya0by0
13s thesis_augmented_gnn
thesis_augmented_gnn
13s
add aug rdkit norm prop Lint #56: Commit 84c170b pushed by aditya0by0
15s thesis_augmented_gnn
thesis_augmented_gnn
15s
add as per node class to init Lint #55: Commit de0c97f pushed by aditya0by0
15s thesis_augmented_gnn
thesis_augmented_gnn
15s
static gni Lint #54: Commit e30e3ac pushed by aditya0by0
14s thesis_augmented_gnn
thesis_augmented_gnn
14s
add string-based sorting for GraphPropAsPerNodeType too Lint #53: Commit e71dfa2 pushed by aditya0by0
16s thesis_augmented_gnn
thesis_augmented_gnn
16s
sort as per node prop to same seq as baseline for fair comparison Lint #52: Commit f5d3cb8 pushed by aditya0by0
12s thesis_augmented_gnn
thesis_augmented_gnn
12s
zero padding for atom properties Lint #51: Commit ca3f305 pushed by aditya0by0
15s thesis_augmented_gnn
thesis_augmented_gnn
15s
use pyg model impl without changing the architecture Lint #50: Commit dfdd810 pushed by aditya0by0
11s thesis_augmented_gnn
thesis_augmented_gnn
11s
modify merge method to have diff props for diff nodes Lint #49: Commit e4e5397 pushed by aditya0by0
14s thesis_augmented_gnn
thesis_augmented_gnn
14s
restructure resgated params - add pyg impl to compare Lint #48: Commit f776af1 pushed by aditya0by0
16s thesis_augmented_gnn
thesis_augmented_gnn
16s
add class for props as per node type Lint #47: Commit c00b65c pushed by aditya0by0
14s thesis_augmented_gnn
thesis_augmented_gnn
14s
Thesis: Integration Chemical Knowledge into GNN Lint #46: Pull request #2 synchronize by aditya0by0
14s thesis_augmented_gnn
thesis_augmented_gnn
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atomring size not required as its included as functional group Lint #45: Commit 342cb85 pushed by aditya0by0
10s thesis_augmented_gnn
thesis_augmented_gnn
10s
Thesis: Integration Chemical Knowledge into GNN Lint #44: Pull request #2 synchronize by aditya0by0
13s thesis_augmented_gnn
thesis_augmented_gnn
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add alkyl prop to graph node Lint #43: Commit b6a4ab3 pushed by aditya0by0
15s thesis_augmented_gnn
thesis_augmented_gnn
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Thesis: Integration Chemical Knowledge into GNN Lint #42: Pull request #2 synchronize by aditya0by0
16s thesis_augmented_gnn
thesis_augmented_gnn
16s