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thealegregroup.bsky.social

@thealegregroup.bsky.social

104 followers 160 following 2 posts

thealegregroup.bsky.social @thealegregroup.bsky.social · 25/11/2025

📢 easyROB, a portable version of ROBERT that anyone can install and use via an interface. It enables chemists to build machine learning models without coding skills! 🥼 Supports ChemDraw files & SMILES in CSV + creates QM descriptors ✅ Automated 👉 www.linkedin.com/posts/juan-v...

linkedin.com

EasyROB at-a-glance in 1 min | Juan V. Alegre-Requena

📢 We’re excited to announce the release of easyROB, a portable version of ROBERT with a user-friendly interface that anyone can download, install, and use. easyROB is designed to enable both experimen...

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Reposted by @thealegregroup.bsky.social

David Dalmau @daviddalmau.bsky.social · 15/04/2025

👉🏻 Are linear models the only/best choice for small databases in machine learning? Check out our work to implement nonlinear models in low-data regimes using ROBERT v2! @chemicalscience.rsc.org 📝 Read: pubs.rsc.org/en/content/a... | 🔧Install: robert.readthedocs.io/en/latest/

pubs.rsc.org

Machine learning workflows beyond linear models in low-data regimes

Data-driven methodologies are transforming chemical research by providing chemists with digital tools that accelerate discovery and promote sustainability. In this context, non-linear machine learning...

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thealegregroup.bsky.social @thealegregroup.bsky.social · 16/01/2025

📢 Applications open to join the second edition of the CAMLC workshop, a great opportunity for chemists who want to learn about cheminformatics, automation, and machine learning. September 16-19 in Zaragoza, Spain. 🗓️ Application deadline: February 28 👉🏻 camlcworkshop.github.io

camlcworkshop.github.io

CAMLC25

Website of the CAMLC25 micro-credential

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Reposted by @thealegregroup.bsky.social

Kjell Jorner @valencekjell.com · 10/12/2024

Another chance to join our group! We are recruiting a PhD student in digital ligand engineering for nanocatalysis. Reposts and spreading the word to interested people in your network appreciated! jobs.ethz.ch/job/view/JOP...

jobs.ethz.ch

PhD position in digital ligand engineering for nanocatalysis

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