Pierre Ducrot

[Pierre Ducrot @ducrot_pierre]

#VMD #GROMACS @GMX_TWEET

[Chris Swain @macinchem]

A reader asks about running VMD and installing Gromacs on M4 Macs. https://t.co/nTzp4FaWwg #compchem #applesilicon

[Pierre Ducrot @ducrot_pierre]

@iwatobipen I meant how many per compound, top 1, 10, more?

[Pierre Ducrot @ducrot_pierre]

Après plusieurs semaines de travaux, @paris l’avenue André Rivoire / David Weill est à nouveau ouverte à la circulation. Quel dommage de ne pas avoir profité des travaux pour supprimer les pavé de la piste cyclable! En plus d’être inconfortable, c’est glissant et dangereux. 🙃

[Jean-Philip Piquemal @jppiquem]

#compchem New paper published in J. Phys. Chem B @JPhysChem: Incorporating Neural Networks into the AMOEBA Polarizable Force Field. Congrats to Yanxing Wang & @JaffrelotT, @leucinw. Another great collaboration with @prenbme. https://t.co/OVjauZG7bL

[Qubit Pharmaceuticals @qubit_pharma]

New #quantumcomputing paper providing an exponential speedup for n-Tofolli gates (controlled operations) !!! Check it out.

[Jean-Philip Piquemal @jppiquem]

#compchem New #preprint: Incorporating Neural Networks into the AMOEBA Polarizable Force Field. Nice work by Yanxing Wang and @JaffrelotT.
Another great collaboration with the @prenbme group (@leucinw)
https://t.co/fOIdc4cFdG

[Qubit Pharmaceuticals @qubit_pharma]

Excited to share our latest achievement with @pasqalio about the potential of #Rydberg atom array Quantum Processing Units in our new preprint: "Leveraging Analog #QuantumComputing with Neutral Atoms for Solvent Configuration Prediction in #DrugDiscovery ! https://t.co/YELGbYjDho

[Qubit Pharmaceuticals @qubit_pharma]

📣🚀EXCITING NEWS: We've been selected for the @WellcomeLeap's "Quantum for Bio" (Q4bio) program in consortium with @pasqalio, a leader in neutral atoms quantum computing & the @unitaryfund, the leading open-source non-profit in quantum technologies!
👉: https://t.co/yJZDvhC5Ww

[Qubit Pharmaceuticals @qubit_pharma]

New #preprint in collab. with @pasqalio and @LCT_UMR7616 . These Quantum-3D-RISM algorithms open a new route towards the application of analog #quantumcomputing in molecular modelling & drug design. Great work by @loco_daniele, Nicolai Gouraud, J. Forêt, @jppiquem #compchem

[Jean-Philip Piquemal @jppiquem]

#compchem Please RT.
2 PhD positions are available in my group in the context of the PhyMol EU project.
DC5 in collaboration with Alexandre Tkatchenko (UL, Luxembourg);
DC6 with Alston Misquitta (QMUL, UK).
All application details are on the website. https://t.co/tK4d9EsQKX

[Chemistry News @ChemistryNews]

Overlap-ADAPT-VQE: practical quantum chemistry on quantum computers via overlap-guided compact Ansätze https://t.co/T8MlmJyAIy

[Pierre Ducrot @ducrot_pierre]

@iwatobipen Good to know, thanks. I’ll wait before upgrading.

[Qubit Pharmaceuticals @qubit_pharma]

Thank you @perman_jorayev from @VerveVentures , for recommending Qubit Pharmaceuticals as one of the "12 startups tackling cancer to watch" - in this great article from @Siftedeu: https://t.co/8vRgYbzMdd

[Qubit Pharmaceuticals @qubit_pharma]

Attending BIO 2023? Click below to send QUBIT PHARMACEUTICALS a meeting request in the BIO partnering system! #BIO2023
Meet with our CEO Robert Marino or our COO Marion Pierrefitte and learn more about Qubit's pioneering approach to drug discovery!

https://t.co/O1cZ5VaghY

[Pierre Ducrot @ducrot_pierre]

@iwatobipen Nice, thanks for sharing. Can you pass in parameters, e.g. input and output SDF file paths?

[Qubit Pharmaceuticals @qubit_pharma]

Accurate free energies from biomolecular simulations: converging Physics, #supercomputing and #machinelearning. New work from our CSO's group @jppiquem.

[Qubit Pharmaceuticals @qubit_pharma]

Qubit Pharmaceuticals is a laureate of the very first class of the #FrenchTech Health20. The programme ambition is to support high-potential start-ups that meet a common objective of accelerating innovation & deploy their initiatives on a large scale. https://t.co/F4nDGWgwYl

[Pierre Ducrot @ducrot_pierre]

@dr_greg_landrum Thanks

[Pierre Ducrot @ducrot_pierre]

@ML_Chem Epinephrine 🤔☕️