Happy to speak today at the "Ambitions quantiques" conférence and to present the Qubit Pharmaceuticals drug discovery workflow. #HPC #supercomputing #QuantumComputing

🤩 Another great achievement for Qubit Pharmaceuticals 🏅 We have been awarded the prestigious #iNov prize for the QuMed project by the Secrétariat général pour l'investissement Bpifrance #France2030. QuMed will be dedicated to #quantumcomputing & #drugdiscovery gouvernement.fr/france-2030-an…

Great synthesis efforts by Enamine Ltd 🇺🇦, collab. Università di Padova Sorbonne Université @INC_CNRS Le Cnam Matthieu Montes M2D2 team Texas BME Pengyu Ren TINKERtools; funding European Research Council (ERC) (project EMC2)

Tinker Developer Workshop 2022 has just started! Jean-Philip Piquemal Pengyu Ren Josh Rackers Moses Chung + many more

The #tinkermeeting is over. It was good for science and good for the soul. Here are my takeaways from my first in-person meeting in 2.5 years…

🥳We are extremely pleased to announce our €16.1m seed round with Quantonation XAnge Omnes Capital & Octave Klaba !🚀These funds will allow us to hire 40 more people, to have a portfolio of 10 drug discovery programs & to continue to invest in research qubit-pharmaceuticals.com

Please RT. #compchem We are looking for an experienced #HPC engineer to work on various GPU optimizations of the Tinker-HP software TINKERtools. Please contact me if interested. This position is funded by European Research Council (ERC) (project ERC EMC2) and oriented towards exascale computing

Congrats to Jaffrelot Inizan Théo, PhD student in our group Laboratoire de Chimie Théorique Sorbonne Université , who is laureate of the prestigious 2022 𝐅𝐮𝐥𝐛𝐫𝐢𝐠𝐡𝐭 𝐅𝐞𝐥𝐥𝐨𝐰𝐬𝐡𝐢𝐩. He will spend several months in US visiting Prof. Pengyu Ren UT Austin to conduct his #compchem research project.

#compchem New preprint: Scalable Hybrid Deep #NeuralNetworks/Polarizable Potentials Biomolecular Simulations including Long-range Effects. Great work by Jaffrelot Inizan Théo Thomas Plé ADJOUA Olivier & collabs: Olexandr Isayev 🇺🇦🇺🇸 Pengyu Ren. EMC2 European Research Council (ERC), #HPC Genci arxiv.org/abs/2207.14276

Pengyu Ren Pengyu Ren and I will start a Results in Chemistry (RECHEM) Virtual Special issue dedicated to #compchem. I have still a few vouchers so if you have a good paper that could fit, contact me.

We are very pleased to announce a strategic collaboration with @NVIDIA to develop a world leading #HPC- #Quantumcomputing platform to accelerate #drugdiscovery!🚀 We will benefit from NVIDIA's #DGX infrastructure together with #QODA and #CuQuantum blogs.nvidia.com/blog/2022/11/3…

#compchem Preprint: 𝛽-actin plasticity is modulated by coordinated actions of histidine 73 methylation, nucleotide type, and ions. Great work by @AdrienSchahl from a long collaboration with matthieu Chavent. Big thanks Pengyu Ren Brandon Walker. TINKERtools doi.org/10.1101/2022.1…

Great work by Jaffrelot Inizan Théo,Thomas Plé,ADJOUA Olivier. Nice collaborations with Olexandr Isayev 🇺🇦🇺🇸 & Pengyu Ren. Funding European Research Council (ERC) (project EMC2); Supercomputer time Genci

Chemical Science Tutorial link: github.com/TinkerTools/ti… Deep-HP is here to combine #MachineLearning potential with TINKERtools to run large #BiomolecularSimulations Big Thanks to Jean-Philip Piquemal Thomas Plé ADJOUA Olivier Olexandr Isayev 🇺🇦🇺🇸 Pengyu Ren European Research Council (ERC) Genci

The Tinker meeting TINKERtools is starting with Michael J. Schnieders University of Iowa : CpHMD and Crystal Polymorph Algorithms for AMOEBA #tinkermeeting23 #compchem

#compchem Just published in JCTC JCIM & JCTC Journals: Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-Polarizable Force Fields. Congrats Jorge Nochebuena & fun project with old friends: @CisnerosRes and Shubin Liu. TINKERtools dx.doi.org/10.1021/acs.jc…

#compchem New #preprint: Incorporating Neural Networks into the AMOEBA Polarizable Force Field. Nice work by Yanxing Wang and Jaffrelot Inizan Théo. Another great collaboration with the Pengyu Ren group (Chengwen Liu) doi.org/10.26434/chemr…

Great talk by J. Huang NVIDIA at the #aiPULSE conference by Scaleway about the importance of having control over the hardware to be able to stay at the forefront of the AI & digital revolution. Thanks a lot for mentioning us as key players in the field! lnkd.in/emPDC_Kg

Today we released some news about our new software developed in collaboration with Qubit Pharmaceuticals. Hyperion-1 is a massively parallel, GPU-accelerated, state-vector quantum emulator designed to explore the 30++ (exact) qubits regime. Huge thank to the team: ADJOUA Olivier César Feniou

We have received numerous sollicitations regarding the Hyperion-1 quantum emulator, thank you everyone! For those who asked, yes Hyperion-1 is under test on AMD and @Intel GPU platforms. Working on the logo right now 😃!! Stay tuned, more results are coming soon.