RING meeting in Nancy, Cyprien Plateau--Holleville presented presented his awesome work on exact integration of the differential quantities involved in Partial Optimal Transport. And that's not all: It comes with a combined physsim - Optimal Transport - rendering on the GPU !

Save the date: Les j.FIG 2025 auront lieu à Calais du 3 au 6 Novembre. Toutes les infos sur le site jfig2025.univ-littoral.fr.

#compchem New paper in Bioinformatics: "VTX: Real-time high-performance molecular structure and dynamics visualization software" (#OpenAccess). Efforts led by @maximemaria.bsky.social and @matthieumontes.bsky.social

1/3 #compchem Preprint: "Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces & Path Integrals" 💫: arxiv.org/abs/2504.07948 An end-to-end multi-level exascale strategy to produce highly accurate quantum chemistry datasets (energies & forces): DFT/QMC/sCI.

VTX on the cover of ChemMedChem!

The renderer used for the previous molecular illustrations has been developed to showcase an analytic molecular surface construction method on GPU targeting large molecular complex.