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125 symbols 323 edges 29 files 25 documented · 20% ● updated 3y ago★ 44

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⨍ Functions 113◇ Types & classes 12

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Core symbols most depended-on inside this repo

↓ 5 filesstats_tracker

utils/data_utils.py

↓ 4 filesMolGraph

graph/mol_graph.py

↓ 2 filesget_shortest_paths

Returns the shortest paths for the given rd_mol. For every pair of atoms, if they are connected by a path <= max_path_length the …

preprocess/shortest_paths.py

↓ 2 filesMolTransformer

models/mol_transformer.py

↓ 2 filesMolConvNet

models/mol_conv_net.py

↓ 2 filestrain_model

train/train_base.py

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Function 78

Method 35

Class 12

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Modules by API surface

graph/mol_graph.py15 symbols

utils/data_utils.py14 symbols

parse/generate_ring_data.py10 symbols

utils/path_utils.py7 symbols

preprocess/shortest_paths.py7 symbols

models/mol_transformer.py7 symbols

graph/mol_features.py7 symbols

train/train_ring.py6 symbols

preprocess/test_shortest_paths.py6 symbols

datasets/mol_dataset.py6 symbols

train/train_prop.py5 symbols

utils/train_utils.py4 symbols

For agents

$ claude mcp add PA-Graph-Transformer \
  -- python -m otcore.mcp_server <graph>

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github.com/benatorc/PA-Graph-Transformer @main

Core symbols most depended-on inside this repo

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For agents

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