Jaffrelot Inizan Théo
@JaffrelotT
Research at @UCBerkeley @BerkeleyLab in #AI4Science ex-Ph.D. student at EMC2 @ERC_Research @Sorbonne_Univ_ Machine Learning - Quantum Physics/Chemistry - HPC
This was a really fun conversation with @BillGates and @peteratmsr, I hope you enjoy it too! (roughly we talk about our respective first contacts with genAI/LLM/sparks and what we see as missing steps/future steps for it to truly transform healthcare) youtu.be/N0w9uO7kH80?si…
Net vs net.
A convolutional neural network built with PyTorch is supporting marine conservation efforts by detecting ghost nets in sonar scans with 94% accuracy. Trained and deployed on Azure using NVIDIA A100 GPUs, the model powers GhostNetZero ai. 🔗 Read @NVIDIA's blog to learn more:…
A convolutional neural network built with PyTorch is supporting marine conservation efforts by detecting ghost nets in sonar scans with 94% accuracy. Trained and deployed on Azure using NVIDIA A100 GPUs, the model powers GhostNetZero ai. 🔗 Read @NVIDIA's blog to learn more:…
We are excited to share an update to Enamine REAL Space, the world's largest searchable chemical space of REadily AccessibLe molecules. With this update, the REAL Space now includes 76.9 billion individual molecules, which is 12 billion more than in the previous version. The…
AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: From the c-Kit Proto-Oncogene to HIV-1 #MolecularDynamics pubs.acs.org/doi/10.1021/ac… @ElAhdab_Dina @ZeinaHobaika @JaffrelotT @CelerseF @RichardGMaroun @jppiquem @Sorbonne_Univ_ #JCIM Vol65 Issue9 #compchem
This week's cover of @ChemicalScience: AIMNet2: a neural network potential to meet your neutral, charged, organic, and elemental-organic needs. pubs.rsc.org/en/content/art… #compchem
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)…
The 2025 Tinker developers meeting group photo. Thanks everyone! #compchem
I hadn't realized this but Romania's next president was 1st in the world in the International Maths Olympiad 2 years in a row with maximum score
#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…
System of Agentic AI for the Discovery of Metal-Organic Frameworks arxiv.org/abs/2504.14110
$1 invested in open-source = $2,000 of value for companies/countries! How much was Stargate again?
Great research on open-source by @Harvard: - $4.15B invested in open-source generates $8.8T of value for companies (aka $1 invested in open-source = $2,000 of value created) - Companies would need to spend 3.5 times more on software than they currently do if OSS did not exist I…