Jeremy
267 posts

Jeremy
@JeremyBuildsAI
No-Code MVP builder | Helping startups & Ops teams launch apps in days 🚀 | AI-powered | Tentoro AI







🔥 Hot off the press in Advanced Science! We pit 7 ML interatomic potentials against React-OT, a diffusion model, and show generative AI makes TS search faster, cheaper, smarter. 🚀 Why it matters👇 • Again, a low MAE on energy and force is not all we need for locating transition states. • Benchmarked on 10 073 reactions / 9.6 M geometries • React-OT + LEFTNet finds more intended TSs than MLIP + Optimization • Barrier MAE ≈ 1 kcal mol⁻¹ • Fully open-source benchmark 🛠️ Congrats to @ZhaoQiyuan and Yunhong Han, who lead and did all the great work. Thanks to @zhongpc, Jiaxu, Taoyong, @haojunjia and the entire @DeepPrinciple team for making it happen. Ready to speed up your reaction networks? Grab the paper & data 👉 doi.org/10.1002/advs.2… Code repo to be released soon 🔗 github.com/deepprinciple/… #AI4Science #ChemTwitter #compchem







