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Search results for python sterimol parameters
python
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sterimol-parameters
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3 search results found
Dbstep
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34
DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format
Aarontools.py
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33
Python tools for automating routine tasks encountered when running quantum chemistry computations.
Sterimol
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12
Calculate Sterimol Parameters from Sructure Input/Output Files
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