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203 symbols 517 edges 32 files 102 documented · 50%

What it actually does AI analysis from the code graph — generated when you open this

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Core symbols most depended-on inside this repo

oneHotVector

called by 11

torchchem/feat/neural_fp.py

add_graph_batch

called by 7

torchchem/data/mol_dataset.py

molToGraph

called by 6

torchchem/feat/neural_fp.py

step

called by 5

contrib/MolDQN/environment.py

one_of_k_encoding_unk

called by 5

torchchem/data/mol_graph.py

save

called by 5

torchchem/data/mol_dataset.py

clones

called by 5

torchchem/models/transformer.py

get_valid_actions

called by 4

contrib/MolDQN/environment.py

Shape

Method 118

Function 51

Class 34

Languages

Python100%

Modules by API surface

torchchem/models/transformer.py41 symbols

torchchem/feat/neural_fp.py26 symbols

torchchem/models/model.py23 symbols

contrib/MolDQN/environment.py16 symbols

torchchem/models/data_utils.py13 symbols

torchchem/data/mol_dataset.py12 symbols

torchchem/models/graphconv.py11 symbols

torchchem/data/mol_graph.py11 symbols

torchchem/models/multitask_regression.py7 symbols

torchchem/models/multitask_classification.py7 symbols

contrib/MolDQN/agent.py7 symbols

contrib/MolDQN/utils.py6 symbols

For agents

$ claude mcp add torchchem \
  -- python -m otcore.mcp_server <graph>

⬇ download graph artifact