🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

Some exciting news in the midst of all the craziness: a new paper finally out, after a very long journey🤩!! We show how NICS can be used to get beautiful bond-current pictures that are easy to interpret and analyze. pubs.rsc.org/en/content/art…

The ICCS 2022 is looking for papers for the upcoming conference. The conference will take place on June 12-16! (iccs-nl.org) Abstract submission is open here: conftool.net/iccs2022/index… Abstracts need to follow the following template : iccs-nl.org/wp-content/upl…

Could machine learning rediscover the law of gravitation simply by observing our solar system? With our new approach, the answer is *YES*. Led by: Pablo Lemos With: Niall Jeffrey Shirley Ho Peter Battaglia Paper: arxiv.org/abs/2202.02306 Blog: astroautomata.com/paper/rediscov…

Our 8th highlight: Henry Rzepa on "The Long and Winding Road towards FAIR Data as an Integral Component of the Computational Modelling and Dissemination of Chemistry" Sebastian Kozuch Comp Chem 🎗️🟠 Ehud Keinan #compchem onlinelibrary.wiley.com/doi/10.1002/ij…

I've joined the PoranneGroup to pursue a MS in Chemistry at the Schulich Faculty of Chemistry, Technion Technion Israel 🎉 👨‍💻⚗️ We'll be using cutting edge #CompChem calculation and AI to push forward the understanding of aromaticity and the design of novel aromatic compounds

mols2grid v0.2.2 is out with a brand new documentation page ✨ mols2grid.readthedocs.io/en/latest/inde… Full changelog: github.com/cbouy/mols2gri…

Here's an often-overlooked piece of advice for all ML practitioners, but especially newcomers: 👉 Build a non-ML baseline first. You'll be surprised how often you cannot easily improve a basic solution by throwing some ML at it, and you'll learn something about the problem too.

New work by Heta Gandhi for explaining black box models in chemistry. It enables sparse explanations with choice of descriptors — functional groups, computed properties, etc. using locally interpretable models. 1/6 Preprint: doi.org/10.26434/chemr… Code: github.com/ur-whitelab/ex…

🚨The COMPAS Project is live on JCIM & JCTC Journals and featured on the front cover! 🤩 👏Congrats to Alex, Lara, and Eno on their fantastic work! 👀Stay tuned for the upcoming expansions of the database! pubs.acs.org/doi/10.1021/ac… ACS for Authors #MyACSCover PoranneGroup Schulich Faculty of Chemistry, Technion

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-Condensed Polybenzenoid Hydrocarbons #copmchem #cheminformatics pubs.acs.org/doi/10.1021/ac… Renana Poranne PoranneGroup #current_issue #JCIM #Chemical_Information

Hey everyone! It's been a year, but I'm back! As an MS student at PoranneGroup Technion Israel, I've been exploring the realm of ML/AI-accelerated chemical discovery Stay tune because I'm thrilled to share my latest research, insights on #CompChem and AI/ML, and molecular design⚗️🤖

hey hey!! long time no tweeting but I've been busy 🙃

I can not avoid the pain and sorrow from today's atrocities against the people of Israel. No words can describe them, no mental acrobatics can justify them. I can't stand still today, and I will never. 🇮🇱

One week until our 6th online symposium will take place📅🔜💻 Do not miss out and register for free: tinyurl.com/onlinemml24 ✅ 🙏Retweet #community #MachineLearning

Thrilled to share that my first paper is now live! 📚🎉 Huge thank to the amazing team that brought this dataset alive. Check out this #compchem dataset designed to boost the organic electronics development and let me know what you think 😁.

Hey check-out new position at the interface of computational chemistry, deep learning and physical organic chemistry.

Save the date! Join us for #LatinXChem24 X conference on October 14th and 15th, 2024. Spread the word to participate in one of the largest online conferences in the world. You have until September 15th for registering your poster. Registration form: forms.gle/wFGKqvLQu8CL3D…