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
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Repositories
- epic-mace Public
Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.
- obelix Public
An automated workflow for generation & analysis of bidentate ligand containing complexes
- chemspax Public
A Python tool for local chemical space exploration of any structure based on their 3D geometry
- 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"
- 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
- published_code_ekhramen Public
- pKa_TM_hydrides_dataset Public
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