#compchem Second preprint linked to the FeNNix-Bio1 #machinelearning foundation model. FeNNix-Bio1's inference is pretty fast already with a few GPUs but, "what if", we were able to push it at the #Exascale? Let's have a glimpse into the future (1/3):."Pushing the Accuracy Limit

Link to the paper:

#compchem Our work "𝐒𝐡𝐨𝐫𝐭𝐜𝐮𝐭 𝐭𝐨 𝐜𝐡𝐞𝐦𝐢𝐜𝐚𝐥𝐥𝐲 𝐚𝐜𝐜𝐮𝐫𝐚𝐭𝐞 𝐪𝐮𝐚𝐧𝐭𝐮𝐦 𝐜𝐨𝐦𝐩𝐮𝐭𝐢𝐧𝐠 𝐯𝐢𝐚 𝐝𝐞𝐧𝐬𝐢𝐭𝐲-𝐛𝐚𝐬𝐞𝐝 𝐛𝐚𝐬𝐢𝐬-𝐬𝐞𝐭 𝐜𝐨𝐫𝐫𝐞𝐜𝐭𝐢𝐨𝐧 " published in @CommsChem has been selected to appear in the @NaturePortfolio collection:

RT @MikPavanello: Are you a recent #PhD graduate in #compchem ? Or will you graduate before the end of 2025? . Consider applying to the 202….

I heard in some talks at #Watoc 2025 that #machinelearning Foundation models could not simulate well condensed-phase systems in Biology & Chemistry. Have a look at our recent papers! Lots of things are now possible with the #FENNIX-Bio1 model (check the post below). #compchem.

#compchem Speaking today at #Watoc 2025 in Oslo: "A foundation model for accurate simulations in drug design". Session C1, 9h35.

Our last work ( highlighted by Quantum Zeitgeist: "Quantum Circuits for the Metropolis-Hastings Algorithm". Recovering a quadratic quantum advantage using Markov chain Monte Carlo using quantum computers! #QuantumComputing .

#quantumcomputing #compchem New preprint: "Quantum Circuits for the Metropolis-Hastings Algorithm". 👉Check it out: . We present a quantum walk construction following the classical proposal-acceptance logic with a constant-sized ancilla register. Since

Thank you France Quantum for this award!🙏 #quantumcomputing #compchem.

RT @ManuelMelleLab: Very interesting results, very promising model, would this be the ML model of choice for modelling of biological system….

Wohooo!!! Pushing VTX (@VTX_mol)'s meshless molecular graphics engine to visualize a whole-cell Martini model. New paper in Frontiers in Bioinformatics @FrontBioinf :"Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model.".

The details for GTC. Thursday, Jun 121:00 PM - 2:00 PM CEST (S03). Session: Researchers at GTC–Accelerating Scientific Discovery: NVIDIA Technologies in the Lab

If you want to know more about #FeNNix-Bio1, the first foundation model able to perform accurate - long timescale- condensed phase molecular simulations of biological systems at quantum accuracy, join me in incoming live presentations:. • @nvidia #GTC25 (Paris)

RT @JCIM_JCTC: AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: From the c-Kit Proto-Oncogene to HIV-1 #Molecular….