Evgeny Pidko & Coworkers
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ODE_fitter
ODE_fitter PublicRepository 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
Jupyter Notebook 2
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epic-mace
epic-mace PublicPython package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
Python
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Repositories
- obelix Public
An automated workflow for generation & analysis of bidentate ligand containing complexes
EPiCs-group/obelix’s past year of commit activity - chemspax Public
A Python tool for local chemical space exploration of any structure based on their 3D geometry
EPiCs-group/chemspax’s past year of commit activity - epic-mace Public
Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
EPiCs-group/epic-mace’s past year of commit activity - obelix-ml-pipeline Public
Data and code related to the ML pipeline used in the paper "Probing Machine Learning Models Based on High-Throughput Experimentation Data for the Discovery of Asymmetric Hydrogenation Catalysts"
EPiCs-group/obelix-ml-pipeline’s past year of commit activity - ODE_fitter Public
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/ODE_fitter’s past year of commit activity - published_code_ekhramen Public
EPiCs-group/published_code_ekhramen’s past year of commit activity - pKa_TM_hydrides_dataset Public
EPiCs-group/pKa_TM_hydrides_dataset’s past year of commit activity
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