sterimol-parameters topic
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sterimol-parameters repositories
DBSTEP
45
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DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure format
Sterimol
19
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7
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Calculate Sterimol Parameters from Sructure Input/Output Files
wSterimol
24
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10
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Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
AaronTools.py
36
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7
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Python tools for automating routine tasks encountered when running quantum chemistry computations.