@thealegregroup.bsky.social
📢 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...
🥼 Supports ChemDraw files & SMILES in CSV + creates QM descriptors
✅ Automated
👉 www.linkedin.com/posts/juan-v...
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...
www.linkedin.com
November 25, 2025 at 10:38 AM
📢 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...
🥼 Supports ChemDraw files & SMILES in CSV + creates QM descriptors
✅ Automated
👉 www.linkedin.com/posts/juan-v...
Reposted
👉🏻 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/
📝 Read: pubs.rsc.org/en/content/a... |
🔧Install: robert.readthedocs.io/en/latest/
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...
pubs.rsc.org
April 15, 2025 at 5:43 PM
👉🏻 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/
📝 Read: pubs.rsc.org/en/content/a... |
🔧Install: robert.readthedocs.io/en/latest/
📢 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
🗓️ Application deadline: February 28
👉🏻 camlcworkshop.github.io
CAMLC25
Website of the CAMLC25 micro-credential
camlcworkshop.github.io
January 16, 2025 at 8:06 AM
📢 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
🗓️ Application deadline: February 28
👉🏻 camlcworkshop.github.io
Reposted
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/job/view/JOP...
PhD position in digital ligand engineering for nanocatalysis
jobs.ethz.ch
December 10, 2024 at 3:29 PM
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/job/view/JOP...