Maginn Research Group
- 30 followers
- University of Notre Dame
- https://sites.nd.edu/maginn-group/
- @ejmaginn
- ed@nd.edu
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Repositories
- GCGP Public
Property prediction method integrating group contribution and Gaussian process regression models
MaginnGroup/GCGP’s past year of commit activity - ES-FFO Public Forked from dowlinglab/HFC-FFO
Machine Learning Enabled Development of Accurate Force Fields for Electrolyte Solvents
MaginnGroup/ES-FFO’s past year of commit activity - IL_HFC_selfD_c2c1im_R32 Public
.mdp, .top, .gro, set-up, and post-processing files for computing system size corrected self-diffusivity using GROMACS. This is a part of the published materials for "Experimental Measurements and Molecular Dynamics Simulations of Self-Diffusivity in Mixtures of the Ionic Liquid [C2C1im][Tf2N] with Difluoromethane and Pentafluoroethane"
MaginnGroup/IL_HFC_selfD_c2c1im_R32’s past year of commit activity - ACAL Public
MaginnGroup/ACAL’s past year of commit activity - syringic_acid_KBI Public
Github repository associated with the manuscript: Understanding Solute-Hydrotrope Aggregation in Aqueous Solutions: A Molecular Dynamics Approach
MaginnGroup/syringic_acid_KBI’s past year of commit activity - ViscAL Public
MaginnGroup/ViscAL’s past year of commit activity - Sigmaussian Public
MaginnGroup/Sigmaussian’s past year of commit activity - SP_ML_CC Public
GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"
MaginnGroup/SP_ML_CC’s past year of commit activity
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