Philippe Schwaller
@pschwllr.bsky.social
Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
Reposted by Philippe Schwaller
Finally, we teamed up with @pschwllr.bsky.social @rebeccaneeser.bsky.social who prepared a random forest model that can readily applied to estimate the membrane permeability of designed cyclic peptides.
Model available on GitHub: github.com/schwallergro...
(8/🧵)
Model available on GitHub: github.com/schwallergro...
(8/🧵)
June 2, 2025 at 10:43 AM
Finally, we teamed up with @pschwllr.bsky.social @rebeccaneeser.bsky.social who prepared a random forest model that can readily applied to estimate the membrane permeability of designed cyclic peptides.
Model available on GitHub: github.com/schwallergro...
(8/🧵)
Model available on GitHub: github.com/schwallergro...
(8/🧵)
EPFL and ETHZ in Switzerland are also top universities.
May 23, 2025 at 7:08 AM
EPFL and ETHZ in Switzerland are also top universities.
No way to investigate that as ChatGPT is closed source.
In general, LLMs hallucinate by mixing learned patterns with gaps in knowledge, generating plausible-sounding but fake details confidently.
In general, LLMs hallucinate by mixing learned patterns with gaps in knowledge, generating plausible-sounding but fake details confidently.
May 23, 2025 at 7:06 AM
No way to investigate that as ChatGPT is closed source.
In general, LLMs hallucinate by mixing learned patterns with gaps in knowledge, generating plausible-sounding but fake details confidently.
In general, LLMs hallucinate by mixing learned patterns with gaps in knowledge, generating plausible-sounding but fake details confidently.
In this case, we didn't run DFT calculations but built the GMAE benchmarks from existing datasets that typically report multiple local minima per adsorbate.
April 9, 2025 at 6:25 PM
In this case, we didn't run DFT calculations but built the GMAE benchmarks from existing datasets that typically report multiple local minima per adsorbate.
What began as Xu's undergraduate thesis in Spring 2023 evolved into an impressive publication after multiple improvement rounds. Not every undergrad project leads to such a quality paper!
April 8, 2025 at 2:33 PM
What began as Xu's undergraduate thesis in Spring 2023 evolved into an impressive publication after multiple improvement rounds. Not every undergrad project leads to such a quality paper!