lipelopesoliveira

lipelopesoliveira/flames

A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE

1 good first / help-wanted issue · Python · last activity Oct 17, 2026

23 stars 6 forks 23 watchers Python MIT License
adsorption gcmc nanoporous-materials simulation
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1 Open Issue Need Help Last updated: Oct 17, 2026

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Thermodynamic and structural parameters from NPT simulations 8 days ago
enhancement good first issue
lipelopesoliveira/flames
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A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE

Python
#adsorption#gcmc#nanoporous-materials#simulation