SigmanGroup
Sigman Lab at the University of Utah
Pinned Loading
Repositories
Showing 10 of 28 repositories
- HT_TSs_Opt Public
This repository contains scripts for high-throughput generation, optimization, and featurization of TSs and catalytic cycle intermediates, along with scripts for MLR and active learning modeling and Excel spreadsheets with input data.
SigmanGroup/HT_TSs_Opt’s past year of commit activity - Get_Properties Public
automated collection and processing of molecular properties from Gaussian jobs
SigmanGroup/Get_Properties’s past year of commit activity - BNNY Public
associated scripting used to generate and apply the Bidentate N-Donor Ligand Library (BNNY)
SigmanGroup/BNNY’s past year of commit activity - python-modeling Public
SigmanGroup/python-modeling’s past year of commit activity - Thioetherification-modeling Public
Optimized structures and modeling notebooks used in the thioetherification modeling project
SigmanGroup/Thioetherification-modeling’s past year of commit activity - pymol_sterimol_visualization Public Forked from Sierrahart/pymol_sterimol_visualization
Visualization of MORFEUS sterimol arrows in PyMOL
SigmanGroup/pymol_sterimol_visualization’s past year of commit activity - Ni-Catalyzed-hDA Public
SigmanGroup/Ni-Catalyzed-hDA’s past year of commit activity
People
This organization has no public members. You must be a member to see who’s a part of this organization.
Top languages
Loading…
Most used topics
Loading…