A repository to hold forcefields for molecular mechanics calculations with RASPA
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Mar 27, 2025 - Makefile
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nanoporous-materials
Here are 4 public repositories matching this topic...
A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE
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Jan 5, 2026 - Python
Python package for analysing properties of membranes in MD simulations: Further development and extension of the published AnalysisForNanoporousCarbonMaterials python package
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Jan 30, 2025 - Python
loo.py
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Dec 13, 2025 - Shell
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