Schrödinger

Now, it’s time to dive into Day 2 of #NVIDIAGTC. From your first coffee to your last call - don’t miss today’s healthcare sessions with @ANSYS @EliLillyandCo @Lucid_Bots @multiplylabs @schrodinger @StudyFetch @workr_labs Details 🧵

Decentralization meets biotechnology. More to come shortly.

In collaboration with @schrodinger, we present DualBind trained on ToxBench 📚 8,770 ERα AB-FEP predicted complexes (RMSE ≈ 1 kcal mol⁻¹). At last, ML has the signal to learn true binding physics - DualBind already hits r = 0.84 without shortcuts. How could this reshape virtual & tox screens? Preprint: nvda.ws/4kDDauo

Great to see @RowanSci highlighted by @scalevp alongside folks like @EvoscaleAI, @IsomorphicLabs, @chaidiscovery, & @schrodinger. "Success... will be contingent on providing step change capabilities vs. whatever is available as a commodity in open-source." We totally agree!

Next week! A 2day hands-on workshop to showcase our newly extended capacity for #Plant Small Molecule Discovery @NIPGRsocial via @schrodinger's full #SMDD Suite of Modules! Inviting research scholars to explore #metabolomics over #cloud, AI/ML in #Drug Design using yr own data

Ready to release the power of digital chemistry?