skolis432 Goto Github PK
Type: User
skolis432's Projects
alfabet
Machine learning predictions of bond dissociation energy
bde-db
A collection of 290,664 Homolytic Bond Dissociation Enthalpies for Small Organic Molecules
goodvibes
Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
q2mm
Quantum to Molecular Mechanics (Q2MM)
rxnpredict
Predicting reaction performance using machine learning
wsterimol
Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
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