Evgeny Pidko & Coworkers
A group of theoretical chemists and cheminformaticians under the ideological inspiration of Prof. Dr. Evgeny Pidko
Pinned Repositories
chemspax
A Python tool for local chemical space exploration of any structure based on their 3D geometry
epic-mace
Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
ODE_fitter
Repository for Chemfit and Chemscreen, kinetic data fitting programs. I'd love any questions about the program. I can be reached on nathan.2099@hotmail.com
pKa_TM_hydrides_dataset
published_code_ekhramen
Evgeny Pidko & Coworkers's Repositories
EPiCs-group/chemspax
A Python tool for local chemical space exploration of any structure based on their 3D geometry
EPiCs-group/ODE_fitter
Repository for Chemfit and Chemscreen, kinetic data fitting programs. I'd love any questions about the program. I can be reached on nathan.2099@hotmail.com
EPiCs-group/epic-mace
Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
EPiCs-group/pKa_TM_hydrides_dataset
EPiCs-group/published_code_ekhramen