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This repository has been archived by the owner on May 10, 2024. It is now read-only.

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mdhelper

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requirements.txt

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mdhelper

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requirements.txt

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33 lines (29 loc) · 365 Bytes

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# PRECOMPILED CORE DEPENDENCIES

matplotlib

mdanalysis >= 2.2.0

netcdf4

numba

numpy

pandas

pint

scipy

sympy

# SELF-COMPILED DEPENDENCIES

# constvplugin or openmm-ic-plugin

# OPTIONAL DEPENDENCIES

dask

joblib

openmm

# DOCUMENTATION DEPENDENCIES

furo

numpydoc

sphinx

sphinx-copybutton

# TEST DEPENDENCIES

ase

coverage

dynasor

mdanalysistests

pytest

ruff

tidynamics

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