@plumed_org

#PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations.

plumed.org
Joined February 2017
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#PLUMED 2.9.0 has been just released! This is a brand new release with many improvements
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🦋🦋🦋
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📢 New #preprint describing our community effort to share #plumed tutorials arxiv.org/abs/2412.03595 ! Explore the tutorials at plumed-tutorials.org

PLUMED Tutorials: a collaborative, community-driven learning ecosystem

In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific progress....

arxiv.org
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@fede_ballabio @mattia_bee @LuigiBonati @FBrotzakis @ric_capelli @MicheleCeriotti @PilarCossio2 @nanophononics @BerndEnsing @FergLab @__luthaf__ @gervasiolab @giorginolab @glenhocky @inve_michele @VanessaLeone10 @ShamsMehdi__ @GroupParrinello @PiaggiPablo @adpietropaolo
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@RaiteriPaolo @rapetti_daniele @ValerioRizzi33 @JakubRydzewski @matteoslvlgl @ChristophSchran @_AniruddhaSeal @arminshzd @spiwokv @Sucer6 @tiwarylab @OmarValsson @mvendruscolo14 @VothGroup @andrewwhite01 + many other X-less people!
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Do you want to work at the interface of molecular simulations, structural biology experiments and #AI? Come to Paris for a PhD at @institutpasteur. 1 PhD position is available in our lab funded by @ERC_Research. Please repost!! #compchem #compbio Info 👇 research.pasteur.fr/b/15Hr
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Do you want to work at the interface of structural biology and #AI? We are #hiring Come to Paris for a @CNRS postdoc at @institutpasteur funded by @ERC_Research and co-supervised by @malletvincent Please RT!! #deeplearning #compbio More info here: research.pasteur.fr/b/vVT
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Mini-symposium “AI in structural biology: What’s next ?” on November 12 2024 at @institutpasteur organised by @BardiauxB @DBSC_IP and myself. With @grudinin @jessica_compbio @acarbone16 G. Bouvier S. Cocco @LP_ENS_ More info + free registration👇research.pasteur.fr/en/event…
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Two fully funded positions available: #PhD in Physics and Chemistry of Biological Systems @Sissaschool @SbpSissa . Deadline Aug 26, h13:00 CET. Online application: pica.cineca.it/sissa/phd-phy… Exam (remote): Sep 9-10. More info ⬇️
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Support the statement!
MDDB@mddbEU26 Jul 2024
Signed by over 120 experts, our letter highlighting the urgent need for a collaborative effort to establish a #FAIR database for #MolecularDynamics simulation data, is now on Arxiv. 📎 Read it here: bit.ly/3WjcC7x 📝Support our statement: bit.ly/3zVS3qm #MDDB
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Cool new feature in PLUMED-NEST. You can quickly find out all the @plumed_org input files that use specific actions, like METAD, and learn from real-life examples. Thanks Gareth Tribello! Try it out here: plumed-nest.org/browse.html
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Download the new version at plumed.org/download. @condaforge and @macports packages have been already updated to v2.9.0. @pypi package is also up to date (Python wrappers only).
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We also published v2.8.3 with a few bug fixes. Use this if you have reasons to stay on the v2.8 branch. v2.7 is deprecated and won't be supported, please switch to the newer branches.
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There is time until May 4th to apply to our @cecamEvents Flagship School in Lausanne. More info 👇
PLUMED@plumed_org23 Mar 2023
Applications are open for the @cecamEvents PLUMED Flagship School in Lausanne, July 3-6 2023. More details about how to put an application together 👇 github.com/plumed/cecam2023/…
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Do you want to work at the interface of MD simulations, structural biology experiments and #AI? We are hiring! Come to beautiful Paris for a @CNRS postdoc @institutpasteur. 2 positions are available funded by @ERC_Research. Please RT! #compchem #compbio ℹ️ research.pasteur.fr/en/job/t…
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Applications are open for the @cecamEvents PLUMED Flagship School in Lausanne, July 3-6 2023. More details about how to put an application together 👇 github.com/plumed/cecam2023/…
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