Erik Thiede
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erikhthiede.bsky.social
Erik Thiede
@erikhthiede.bsky.social
Asst. Professor of Chemistry at Cornell University. Interests: Bio, Chem, ML, Statistical Estimation, Electron Microscopy, Good code.
Request: I think with a little bit of effort, we could further improve dimensional efficiency and make py1Dmol. I've attached a quick proof of concept in the image. Happy to submit a PR if you want to follow up.
October 29, 2025 at 3:38 AM
Back from our first group conference trip to ACS Fall. Was great to not only see new science, but also excellent watch the very excellent presentations from Josh (Rhodes), Diego, and Jeffrey, as well as the great reception Josh (Almonte)'s poster received!
August 26, 2025 at 7:06 PM
July 16, 2025 at 10:35 PM
April 23, 2025 at 7:26 PM
It is with great pleasure that I announce that the Thiede lab has solved the problem of interpretability in AI for Chemistry with our new neural network architecture: the Variational Alanine Encoder (VAE).
April 1, 2025 at 3:55 PM
Also: color commands work!

\displaystyle{\partial_t \rho = - \nabla_{W_2} E(\rho) = \color{blue}{\nabla} \cdot \left(\rho \color{blue}{\nabla} \frac{\color{green}{\delta} E}{\color{green}{\delta} \rho}\right)}
January 11, 2025 at 10:37 PM
December 5, 2024 at 2:46 AM