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austin-mroz / SMORES

Calculation of electric-field-based steric (Sterimol) parameters.
MIT License
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Validate common carbon substituents #9

Closed austin-mroz closed 2 years ago

austin-mroz commented 2 years ago

Validation script/protocol for common carbon substituents allows for HT generation of electrostatic potential maps.

README.md contains the validation protocol to be used.