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grimme-lab
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MindlessGen
Mindless molecule generator in a Python package.
Apache License 2.0
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Generate larger `mindless` molecules
#5
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marcelmbn
opened
1 month ago
marcelmbn
commented
1 month ago
Generate larger MLM's by, e.g., fusing two or more mindless molecules into one
How-To?
Adding structures into one file with some distance and application of an ellipsoid potential and MD simulation
More ideas?
Generate larger MLM's by, e.g., fusing two or more mindless molecules into one
How-To?