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@livecomsjournal.bsky.social

The Living Journal of Computational Molecular Science (LiveCoMS) provides a peer-reviewed home for computational molecular science papers that can and should be updated. https://livecomsjournal.org/

90 Followers  |  9 Following  |  19 Posts  |  Joined: 30.01.2025  |  1.6923

Latest posts by livecomsjournal.bsky.social on Bluesky

Why LiveCoMS matters | Living Journal of Computational Molecular Science

Here's why we think this is still important today:
livecomsjournal.org/index.php/li...

But we'd love to continue that debate! What do you like about LiveCoMS, what made you publish with us or read an article? Or what can we do better, what is holding you off submitting your first manuscript?

06.10.2025 15:21 β€” πŸ‘ 2    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0

Since then, we've published six volumes of peer-reviewed living documents, covering perpetually updated reviews, tutorials & software comparisons. Every article has its own GitHub repo for community discussion, and we're starting to publish 2nd versions with important scientific updates.

06.10.2025 15:21 β€” πŸ‘ 4    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0
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Is the staggeringly profitable business of scientific publishing bad for science? The long read: It is an industry like no other, with profit margins to rival Google – and it was created by one of Britain’s most notorious tycoons: Robert Maxwell

"Scientists are well aware that they seem to be getting a bad deal." www.theguardian.com/science/2017...

8 years ago, in response to this article, we wrote about the need for LiveCoMS, a diamond open access journal with no charge for submissions or for libraries: livecomsjournal.org/index.php/li...

06.10.2025 15:21 β€” πŸ‘ 3    πŸ” 1    πŸ’¬ 1    πŸ“Œ 0
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GitHub - lammpstutorials/lammpstutorials-article: A Set of Tutorials for the LAMMPS Simulation Package A Set of Tutorials for the LAMMPS Simulation Package - lammpstutorials/lammpstutorials-article

You can find accompanying files and comment on the article here: github.com/lammpstutori...

02.10.2025 14:35 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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πŸ“’ New software tutorial alert!

Gravelle et al introduce a suite of tutorials for new users of the LAMMPS simulation package, including molecular simulation basics, reactive force fields, GCMC and enhanced sampling #compchem

doi.org/10.33011/liv...

02.10.2025 14:35 β€” πŸ‘ 8    πŸ” 3    πŸ’¬ 1    πŸ“Œ 0
Tutorials and Training Articles | Living Journal of Computational Molecular Science

Hi, we have a few relevant tutorials out recently including MD with e.g. gromacs, gromos and biosimspace: livecomsjournal.org/index.php/li...

02.10.2025 06:12 β€” πŸ‘ 3    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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GitHub - biomos/gromos_tutorial_livecoms: Advanced tutorial for the GROMOS software for biomolecular simulation Advanced tutorial for the GROMOS software for biomolecular simulation - biomos/gromos_tutorial_livecoms

This is version 2 of this tutorial article, illustrating our 'living document' approach to publishing in which works are regularly updated on Github with community input. As ever, you can comment on this article here: github.com/biomos/gromo...

30.09.2025 17:06 β€” πŸ‘ 3    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Interested in biomolecular simulation?

The latest article by Lier et al describes advanced tutorials for the GROMOS software, including free energy calculations, enhanced sampling and neural network potentials with SchNetPack! #compchem

livecomsjournal.org/index.php/li...

30.09.2025 17:06 β€” πŸ‘ 7    πŸ” 2    πŸ’¬ 1    πŸ“Œ 1
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GitHub - Foly93/MD_FromBasicsToApplication: Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to be finished within one semester, but can be completed within a couple of weeks technically speaking. Elaborate Tutorial for Teaching Molecular Dynamics directed to university students in their graduate program. The course is designed to be finished within one semester, but can be completed within ...

As ever you can comment on and contribute to the work via the accompanying GitHub repo: github.com/Foly93/MD_Fr...

09.09.2025 12:19 β€” πŸ‘ 4    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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The latest @livecomsjournal.bsky.social tutorial "Molecular Dynamics: From Basics to Application" by Vollmers, Chen et al is out now! doi.org/10.33011/liv...

It includes comprehensive MD tutorials in GROMACS, covering forcefields, thermodynamic ensembles, long-range electrostatics and much more!

09.09.2025 12:19 β€” πŸ‘ 28    πŸ” 9    πŸ’¬ 1    πŸ“Œ 1
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GitHub - liedllab/gist-tutorial: GIST Tutorial published in the Living Journal of Computational Molecular Science GIST Tutorial published in the Living Journal of Computational Molecular Science - liedllab/gist-tutorial

Accompanying code is available at: github.com/liedllab/gis...

14.08.2025 16:44 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Interested in solvation free energies of small molecules and proteins?

The latest @livecomsjournal.bsky.social tutorial by Egger-Hoerschinger et al provides a guide to quantifying hydration thermodynamics using Grid Inhomogeneous Solvation Theory (GIST):
doi.org/10.33011/liv...

#compchem

14.08.2025 16:44 β€” πŸ‘ 10    πŸ” 3    πŸ’¬ 1    πŸ“Œ 0
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GitHub - usnistgov/best-practices-mc Contribute to usnistgov/best-practices-mc development by creating an account on GitHub.

You can comment on the manuscript and find code examples at the accompanying github repo: github.com/usnistgov/be...

11.08.2025 18:32 β€” πŸ‘ 2    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
Table of contents figure

Table of contents figure

Our latest Best Practices article "Developing Monte Carlo Methodologies in Molecular Simulations" is out now and describes how to derive acceptance probabilities for a variety of Monte Carlo moves:
doi.org/10.33011/liv...

#compchem

11.08.2025 18:32 β€” πŸ‘ 15    πŸ” 8    πŸ’¬ 1    πŸ“Œ 0
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GitHub - Lemkul-Lab/gamd_livecoms_tutorial Contribute to Lemkul-Lab/gamd_livecoms_tutorial development by creating an account on GitHub.

As always, if you have any comments or questions on the paper, you're encouraged to engage with the paper's Github repository: github.com/Lemkul-Lab/g...

12.07.2025 19:55 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Interested in enhanced sampling for molecular dynamics simulations? Check out the latest LiveCoMS tutorial on Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD:

livecomsjournal.org/index.php/li...

#compchem

12.07.2025 19:55 β€” πŸ‘ 14    πŸ” 5    πŸ’¬ 2    πŸ“Œ 0
Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0] | Living Journal of Computational Molecular Science

Happy to announce our latest article, a tutorial on running Gaussian-accelerated MD simulations in NAMD. Tour de force work by @hmmichel.bsky.social with @mdpoleto.bsky.social that unifies theory and practice in one place!

livecomsjournal.org/index.php/li...

12.07.2025 17:37 β€” πŸ‘ 14    πŸ” 5    πŸ’¬ 0    πŸ“Œ 0

In the London heat, dreaming of a chemistry journal where articles evolve (living, versionable, open). Has anyone tried F1000? I am curious what the experience is like #OpenScience #ChemSky

21.06.2025 19:17 β€” πŸ‘ 12    πŸ” 1    πŸ’¬ 1    πŸ“Œ 0

That's right - all articles are diamond open access and can be regularly updated!

21.06.2025 19:28 β€” πŸ‘ 4    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
LiveCoMS monthly PDF downloads from our current hosting site, where we moved in late 2021

LiveCoMS monthly PDF downloads from our current hosting site, where we moved in late 2021

Do LiveCoMS articles make a mark? Check out our new blog post on our download & viewing statistics. We’re excited to see LiveCoMS is having an impact and large numbers of people find our work valuable! livecomsjournal.org/index.php/li...

25.03.2025 21:32 β€” πŸ‘ 4    πŸ” 2    πŸ’¬ 0    πŸ“Œ 0
Why LiveCoMS matters | Living Journal of Computational Molecular Science

The Living Journal of Computational Molecular Science (LiveCoMS) is on BlueSky! Check out our recent blog post on why @livecomsjournal.bsky.social matters to find out more about us: livecomsjournal.org/index.php/li... #compchem #chemsky

30.01.2025 21:11 β€” πŸ‘ 21    πŸ” 9    πŸ’¬ 0    πŸ“Œ 0

@livecomsjournal is following 9 prominent accounts