SigmanGroup
Pinned Loading
Repositories
- python-modeling Public
SigmanGroup/python-modeling’s past year of commit activity - 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 modeling and Excel spreadsheets with input data.
SigmanGroup/HT_TSs_Opt’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 - Ni-Catalyzed-hDA Public
SigmanGroup/Ni-Catalyzed-hDA’s past year of commit activity - SVM-Pipeline Public
code for Leveraging Data Science to Elucidate Ligand Features for Pd-Catalyzed Enantioretentive N-Arylations of Cyclic α-Substituted Amines in Aqueous Media
SigmanGroup/SVM-Pipeline’s past year of commit activity - Desulfonylative_Fluorination Public
Modeling scripts and data associated with the Sigman-Sanford lab collaboration on desulfonylative fluorination of heteroaromatics. DOI: pending
SigmanGroup/Desulfonylative_Fluorination’s past year of commit activity - SMART-molecular-descriptors Public Forked from bmiller2783/SMARTpy
An open-source Python package for generation of SMART probe pockets and calculation of molecular descriptors.
SigmanGroup/SMART-molecular-descriptors’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…