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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
Pages
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Posts
What do you really know about compound identifiers?
Published:
The definitions, relationships and use-cases.
publications
Accurate Prediction of Aqueous Free Solvation Energies Using 3D Atomic Feature-Based Graph Neural Network with Transfer Learning
Published in Journal of Chemical Information and Modeling, 2022
Multitask Deep Ensemble Prediction of Molecular Energetics in Solution: From Quantum Mechanics to Experimental Properties
Published in Journal of Chemical Theory and Computation, 2023
The study on the electron transfer between cytochrome c and single-walled carbon nanotube – The calculations of the reorganization free energy, the coupling matrix element and the rate constant
Published in Computational and Theoretical Chemistry, 2024
Accurate Prediction of NMR Chemical Shifts: Integrating DFT Calculations with Three-Dimensional Graph Neural Networks
Published in Journal of Chemical Theory and Computation, 2024
talks
Talk 1 on Relevant Topic in Your Field
Published:
This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Molecule Perception
Published:
EzChem, a computaional framework for molecular property prediction
Published:
EzChem Framework is develped by me.
teaching
Teaching experience 1
Undergraduate course, University 1, Department, 2014
This is a description of a teaching experience. You can use markdown like any other post.
Teaching experience 2
Workshop, University 1, Department, 2015
This is a description of a teaching experience. You can use markdown like any other post.