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356 symbols 1,277 edges 94 files 269 documented · 76%

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

create_force_field

called by 27

ParaMol/Force_field/force_field.py

add_parameter

called by 26

ParaMol/Force_field/force_field_term.py

run_calculation

called by 21

ParaMol/QM_engines/ase_wrapper.py

get_positions

called by 18

ParaMol/MM_engines/openmm.py

get_potential_energy

called by 16

ParaMol/MM_engines/openmm.py

write_data

called by 15

ParaMol/System/system.py

get_energies_ensemble

called by 14

ParaMol/System/system.py

read_data

called by 14

ParaMol/System/system.py

Shape

Method 296

Class 54

Function 6

Languages

Python100%

Modules by API surface

ParaMol/MM_engines/openmm.py26 symbols

ParaMol/Force_field/force_field.py18 symbols

ParaMol/System/system.py17 symbols

ParaMol/HMC/hmc_sampler_qm_mm.py15 symbols

ParaMol/HMC/hmc_sampler.py15 symbols

ParaMol/MM_engines/resp.py13 symbols

ParaMol/Tasks/torsions_scan.py12 symbols

ParaMol/MM_engines/least_square.py11 symbols

ParaMol/Utils/interface.py10 symbols

ParaMol/Tasks/task.py10 symbols

ParaMol/Tests/MM_engines/test_openmm_wrapper.py9 symbols

ParaMol/Optimizers/devel/bayesian.py9 symbols

For agents

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

⬇ download graph artifact