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Pablo Arantes

@pabloarantes.bsky.social

878 followers 1.4K following 49 posts

#compchem Research Scientist at Vita Nova Institute- Work interests mostly related to the simulation of biomolecular systems - Lead developer of the Making It Rain, Cloud-Bind and ParametrizANI projects. pablo-arantes.github.io

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Pablo Arantes @pabloarantes.bsky.social · 25/05/2026

💻 Quick code demo: 🧵 3/4

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Pablo Arantes @pabloarantes.bsky.social · 09/10/2025

🧠💥 ParametrizANI found a home! Our paper is now published in JCIM! Making ML-based force field parametrization open and easy for everyone. With TorchANI, @rdkit.bsky.social & @openmm.org 🔗 pubs.acs.org/doi/abs/10.1... @acs.org @giuliapalermo.bsky.social

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Pablo Arantes @pabloarantes.bsky.social · 07/10/2025

Your protein moves, but when exactly? ⏱️ Meet eRMSF, our new Python tool that tracks fluctuations over time! Traditional RMSF shows “how much.” eRMSF shows “when.” 🔥 Preprint 🔗 doi.org/10.26434/che... GitHub github.com/pablo-arante... Try it on Colab → colab.research.google.com/github/pablo...

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Pablo Arantes @pabloarantes.bsky.social · 20/08/2025

Our user-friendly Jupyter notebooks provide a complete workflow for dihedral parametrization, from SMILES strings to optimized force field parameters. We support both GAFF & @openforcefield.org force fields, ensuring compatibility for your simulations. #ForceFields 5/8

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Pablo Arantes @pabloarantes.bsky.social · 08/04/2025

This is the kind of message that makes it all worth it. When someone takes a moment to say thank you, it reminds me why we keep pushing forward—sharing tools, writing posts, and trying to make science more open and accessible. Grateful for the kind words!

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Pablo Arantes @pabloarantes.bsky.social · 20/03/2025

I’ve just updated the BioEmu notebook to include the powerful LogMD. Now, you can generate equilibrium ensembles and explore the full ensemble directly in the notebook. A huge thanks to Alexander Mathiasen for the support! 🙌 🔗 Try it on Google Colab: lnkd.in/gcuqd-fT

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Pablo Arantes @pabloarantes.bsky.social · 01/03/2025

Meet BioEmu, a generative AI model for scalable emulation of protein equilibrium ensembles—predicting structural distributions from just an amino acid sequence! Developed by Microsoft Research & Freie Universität Berlin, this model is reshaping biomolecular modeling. Picture from BioEmu repository.

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Pablo Arantes @pabloarantes.bsky.social · 22/11/2024

ABE8e: the Beyoncé of base editing—flawless dimerization, exclusive interactions, and unparalleled efficiency! 🎤 Check out our latest work: doi.org/10.1093/nar/... #CRISPR #BaseEditing #ChemComp #MDsimulations

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Pablo Arantes @pabloarantes.bsky.social · 19/11/2024

Just hit 1,000 citations on Google Scholar! That’s one small step for science, one giant leap for my imposter syndrome. 🚀📚😜

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Pablo Arantes @pabloarantes.bsky.social · 21/09/2024

Bluesky now has over 10 million users, and I was #678,389!

A virtual certificate with text "Celebrating 10M users on Bluesky, #678,389, Pablo Arantes ‪@pabloarantes.bsky.social‬, joined on Aug 22, 2023"

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