EduardoM
@eddMayo
Followers
420
Following
2K
Media
164
Statuses
960
Using cutting edge CompChem ⚗️ and AI/ML 🧠 to understand aromaticity and design next generation of molecular electronics. |👨🔬 Tweeting about science.
Israel
Joined January 2019
Hi @LatinXChem, here is the "COMPAS Phase 2: Hetero-Polycyclic Aromatic Hydrocarbons " an important milestone of the COMputational database of Polycyclic Aromatic Systems (COMPAS) project #LatinXChem23 #LatinXChemComp #Comp107
@digital_rsc, @PCCP, @ChemRxiv, @LufacIDT
6
14
66
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. 🇮🇱
0
1
5
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: https://t.co/oApJQbfAip
2
142
243
Hey check-out new position at the interface of computational chemistry, deep learning and physical organic chemistry.
Are you: 🤪 Crazy about computational chemistry? 🌌 Excited to explore chemical space? 🖥️ Delighted with deep learning? 🧪And amazed by aromatic molecules? 🦸🏽Then JOIN US! @PoranneG is recruiting grad students to our awesome team! https://t.co/3KgL4ulXQN Fig: @roiporanne
0
0
3
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 😁.
🚨The only thing better than polycyclic aromatic systems is *MORE* polycyclic aromatic systems! 🥳Now in @ScientificData: COMPAS-2 -- our new dataset of 500k (yes, half a million!) PASs, made by @eddMayo and @Sabyasa13824679. https://t.co/diHQnUHjKw
#ML4Molecules #Chemtwitter
1
0
8
One week until our 6th online symposium will take place📅🔜💻 Do not miss out and register for free: https://t.co/VJ5DWWwRkM ✅ 🙏Retweet #community #MachineLearning
1
7
32
📢 Don't miss out! Check out the preprint related to this work here: 🔗 https://t.co/Du1aRQNS0W 🤖 Also, explore how this dataset was used to develop a guided diffusion model for inverse molecular design: 🔗
0
0
3
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. 🇮🇱
0
1
5
hey hey!! long time no tweeting but I've been busy 🙃
A thrilling moment for us: GaUDI has reached 1,000 downloads on @ChemRxiv! 🥳😮🤩🤯 I'm so proud of this work and the entire team behind it! @weiss_tomer, @eddMayo, @Sabyasa13824679, Luca, and Alex. https://t.co/MOSV92FU6w
0
0
4
Hey everyone! It's been a year, but I'm back! As an MS student at @PoranneG @TechnionLive, 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⚗️🤖
0
0
3
The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 1: cata-Condensed Polybenzenoid Hydrocarbons #copmchem #cheminformatics
https://t.co/laW6GU3SXM
@Aromaticist @PoranneG
#current_issue #JCIM #Chemical_Information
0
4
10
🚨The COMPAS Project is live on @JCIM_JCTC 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! https://t.co/ocaxppwWnp
@ACS4Authors #MyACSCover @PoranneG @SchulichT
1
7
33
New work by @gandhi_heta 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: https://t.co/zeHI1jZdow Code: https://t.co/sWDM9TB6GM
3
21
116
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.
5
34
257
mols2grid v0.2.2 is out with a brand new documentation page ✨ https://t.co/EdorP19Bhh Full changelog:
github.com
Added A proper documentation page with tutorials can now be accessed online. Added a single_highlight=False parameter to only highlight a single match per molecule in substructure queries. Added a...
0
3
20
I've joined the @PoranneG to pursue a MS in Chemistry at the @SchulichT @TechnionLive 🎉 👨💻⚗️ We'll be using cutting edge #CompChem calculation and AI to push forward the understanding of aromaticity and the design of novel aromatic compounds
1
1
23
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" @KozuchSebastian @KeinanEhud #compchem
https://t.co/GonYvMAgyv
onlinelibrary.wiley.com
Fifty years of the author‘s activities as a “computational chemist” are described, linked by the theme of scientific data. For the first half of this period, data was often handled in a very impove...
1
3
8
Could machine learning rediscover the law of gravitation simply by observing our solar system? With our new approach, the answer is *YES*. Led by: @PabloLemosP With: @Niall_Jeffrey @cosmo_shirley @PeterWBattaglia Paper: https://t.co/jDeOUt7yFv Blog: https://t.co/eP04RXjrYz
22
304
1K
The ICCS 2022 is looking for papers for the upcoming conference. The conference will take place on June 12-16! ( https://t.co/jjjpiqvsbC) Abstract submission is open here: https://t.co/CboPtWNXHq Abstracts need to follow the following template : https://t.co/aWTAd7X385
3
15
20
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. https://t.co/tJO5CzbZZh
8
19
143