PLUMED
@plumed_org
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#PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations.
Joined February 2017
#PLUMED 2.9.0 has been just released! This is a brand new release with many improvements.
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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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An initiative coordinated by Gareth Tribello, @BonomiMax, @BussiGio, Carlo Camilloni, and with fundamental contributions from our community. 𝕏 handles in 🧵:.
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📢 New #preprint describing our community effort to share #plumed tutorials ! Explore the tutorials at
arxiv.org
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....
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RT @BonomiMax: Do you want to work at the interface of molecular simulations, structural biology experiments and #AI? Come to Paris for a….
research.pasteur.fr
One PhD thesis in the “Computational Structural Biology” lab headed by Dr. Max Bonomi is available for 3 years. The position is funded by the ERC Consolidator Grant 2022 “bAIes”. The unit is part […]
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RT @BonomiMax: Do you want to work at the interface of structural biology and #AI? We are #hiring Come to Paris for a @CNRS postdoc at @ins….
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RT @BonomiMax: Mini-symposium “AI in structural biology: What’s next ?” on November 12 2024 at @institutpasteur organised by @BardiauxB @D….
research.pasteur.fr
Free event with mandatory registration. Register here Organisers: Benjamin Bardiaux & Max Bonomi, Department of Structural Biology and Chemistry, Institut Pasteur, Paris. PROGRAM 13h10: Reception of...
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RT @BussiGio: Two fully funded positions available: #PhD in Physics and Chemistry of Biological Systems @Sissaschool @SbpSissa . Deadline A….
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RT @BonomiMax: Cool new feature in PLUMED-NEST. You can quickly find out all the @plumed_org input files that use specific actions, like ME….
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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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Download the new version at @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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Several additional improvements on available actions. See the complete list of changes here:
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A new membrane fusion module has been contributed by Ari Lautaro Di Bartolo. Accelerate fusion of membranes with #PLUMED.
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A new #PyTorch module has been contributed by @LuigiBonati! Define complex CVs using PyTorch models and bias them with #PLUMED.
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There is time until May 4th to apply to our @cecamEvents Flagship School in Lausanne. More info 👇.
Applications are open for the @cecamEvents PLUMED Flagship School in Lausanne, July 3-6 2023. More details about how to put an application together 👇
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RT @BonomiMax: Do you want to work at the interface of MD simulations, structural biology experiments and #AI? We are hiring! Come to beaut….
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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 👇
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