Kevin
Duquesne University
Followers: 0 Following: 0
Professional Interests: Pharmaceutics, QSPR, modeling, spectroscopy
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Have 2 submissions connected to GitHub
Awarded to Kevin on 26 Mar 2022
Your submissions were downloaded 30 or more times in a month
Awarded to Kevin on 01 Nov 2019
Publish your first review
Awarded to Kevin on 09 Oct 2019
Publish your first submission
Awarded to Kevin on 09 Oct 2019
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Submitted
GetAtomCoords
A function to retrieve the coordinates for all atoms in a Materials Studio file(s) and subsequently calculate the molecular desc...
ongeveer 2 jaar ago | 2 downloads |
Submitted
R3mCalculate
A function to calculate the molecular descriptor R3m (R-GETAWAY third order autocorrelation index weighted by atomic mass).
meer dan 2 jaar ago | 1 download |
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