I will be at ChemAI NYC next week! Really looking forward to it, both to present what our team has been up to and to meet everyone else there. If anybody wants to meet up while I'm New York please reach out 🗽
wp.nyu.edu/sccpc/chemai/
wp.nyu.edu/sccpc/chemai/
June 25, 2026 at 10:27 AM
I will be at ChemAI NYC next week! Really looking forward to it, both to present what our team has been up to and to meet everyone else there. If anybody wants to meet up while I'm New York please reach out 🗽
wp.nyu.edu/sccpc/chemai/
wp.nyu.edu/sccpc/chemai/
pre-print 🚨!
MOLPIPx, a fully differentiable library for Permutationally Invariant Polynomials in JAX and Rust (🦀)
Great work by Asma and Manuel (not in 🦋)!
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem #compchemsky #chemsky
MOLPIPx, a fully differentiable library for Permutationally Invariant Polynomials in JAX and Rust (🦀)
Great work by Asma and Manuel (not in 🦋)!
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem #compchemsky #chemsky
November 27, 2024 at 1:10 PM
pre-print 🚨!
MOLPIPx, a fully differentiable library for Permutationally Invariant Polynomials in JAX and Rust (🦀)
Great work by Asma and Manuel (not in 🦋)!
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem #compchemsky #chemsky
MOLPIPx, a fully differentiable library for Permutationally Invariant Polynomials in JAX and Rust (🦀)
Great work by Asma and Manuel (not in 🦋)!
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem #compchemsky #chemsky
⚛️ChemAI
KI trifft Quantenchemie: Mithilfe von 3D-Deep-Learning werden Moleküle identifiziert, die sich als Qubits für Quantensensorik und Quantencomputing eignen könnten. Simulation trifft Labor – von der Vorhersage bis zur Synthese.
(2/5)
KI trifft Quantenchemie: Mithilfe von 3D-Deep-Learning werden Moleküle identifiziert, die sich als Qubits für Quantensensorik und Quantencomputing eignen könnten. Simulation trifft Labor – von der Vorhersage bis zur Synthese.
(2/5)
April 9, 2026 at 2:38 PM
⚛️ChemAI
KI trifft Quantenchemie: Mithilfe von 3D-Deep-Learning werden Moleküle identifiziert, die sich als Qubits für Quantensensorik und Quantencomputing eignen könnten. Simulation trifft Labor – von der Vorhersage bis zur Synthese.
(2/5)
KI trifft Quantenchemie: Mithilfe von 3D-Deep-Learning werden Moleküle identifiziert, die sich als Qubits für Quantensensorik und Quantencomputing eignen könnten. Simulation trifft Labor – von der Vorhersage bis zur Synthese.
(2/5)
Freiräume für innovative Projekte aus versch. Fachbereichen schaffen ist das Ziel der Forschungsinkubatoren an der #uulm. "ChemAI" zu molekularen Quanten-Bits sowie das digitale Diabetes-Management "DiaPulse" werden gefördert. t1p.de/0t9aj *stg @mvdelius.bsky.social @karliwalti.bsky.social
March 30, 2026 at 3:42 PM
Freiräume für innovative Projekte aus versch. Fachbereichen schaffen ist das Ziel der Forschungsinkubatoren an der #uulm. "ChemAI" zu molekularen Quanten-Bits sowie das digitale Diabetes-Management "DiaPulse" werden gefördert. t1p.de/0t9aj *stg @mvdelius.bsky.social @karliwalti.bsky.social
Thanks @fragrisoni.bsky.social for a great talk at the University of Amsterdam! Learned a lot about how to apply AI effectively to molecular structure generation. Strong start to the #ChemAI events this week
November 26, 2024 at 5:16 PM
Thanks @fragrisoni.bsky.social for a great talk at the University of Amsterdam! Learned a lot about how to apply AI effectively to molecular structure generation. Strong start to the #ChemAI events this week
🎉🪅Congrats to Asma and Manuel for getting MOLPIPx accepted in JChemPhys!!
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem
MOLPIPx: an end-to-end differentiable package for permutationally invariant polynomials in Python and Rust
In this work, we present MOLPIPx, a versatile library designed to seamlessly integrate Permutationally Invariant Polynomials (PIPs) with modern machine learning frameworks, enabling the efficient deve...
arxiv.org
January 31, 2025 at 7:16 PM
🎉🪅Congrats to Asma and Manuel for getting MOLPIPx accepted in JChemPhys!!
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem
📜: arxiv.org/abs/2411.17011
🖥️: github.com/ChemAI-Lab/m...
#compchem
Job posting: Data Steward (Research Engineer), Ecole Nationale Supérieure de Chimie de Paris (Chimie ParisTech), Paris, France chemjobber.blogspot.com/2025/01/job-... #chemjobs chemsky 🧪⚗️
Job posting: Data Steward (Research Engineer), Ecole Nationale Supérieure de Chimie de Paris (Chimie ParisTech), Paris, France
From the inbox: Job Summary: Within the framework of the recently funded ChemAI major research program, PSL University is seeking a data s...
chemjobber.blogspot.com
January 14, 2025 at 8:38 PM
Job posting: Data Steward (Research Engineer), Ecole Nationale Supérieure de Chimie de Paris (Chimie ParisTech), Paris, France chemjobber.blogspot.com/2025/01/job-... #chemjobs chemsky 🧪⚗️
🔥 Fresh out of the arXiv oven — new work from the ChemAI-Lab!
“Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization”
👉 arxiv.org/abs/2510.14217
#compchem
@mcmasteruniversity.bsky.social @bimr-mcmaster.bsky.social
“Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization”
👉 arxiv.org/abs/2510.14217
#compchem
@mcmasteruniversity.bsky.social @bimr-mcmaster.bsky.social
Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization
Understanding the spectral properties of kernels offers a principled perspective on generalization and representation quality. While deep models achieve state-of-the-art accuracy in molecular property...
arxiv.org
October 17, 2025 at 1:43 AM
🔥 Fresh out of the arXiv oven — new work from the ChemAI-Lab!
“Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization”
👉 arxiv.org/abs/2510.14217
#compchem
@mcmasteruniversity.bsky.social @bimr-mcmaster.bsky.social
“Spectral Analysis of Molecular Kernels: When Richer Features Do Not Guarantee Better Generalization”
👉 arxiv.org/abs/2510.14217
#compchem
@mcmasteruniversity.bsky.social @bimr-mcmaster.bsky.social
Televiziunea publică din Germania ABOLEȘTE cuvântul „mamă” şi îl înlocuieşte cu „persoană care naște” Aceştia sunt slugile satanei… Ar trebui întrebaţi: "Când erai mic, cum o chemai pe mama ta? Persoana care naşte? Părinte 1 sau Părinte 2?" 👉 […]
[Original post on mastodon.social]
[Original post on mastodon.social]
August 15, 2026 at 9:32 AM
Televiziunea publică din Germania ABOLEȘTE cuvântul „mamă” şi îl înlocuieşte cu „persoană care naște” Aceştia sunt slugile satanei… Ar trebui întrebaţi: "Când erai mic, cum o chemai pe mama ta? Persoana care naşte? Părinte 1 sau Părinte 2?" 👉 […]
[Original post on mastodon.social]
[Original post on mastodon.social]
Had a great time at the Canadian Societies for Chemistry and Chemical Engineering Conference x2026 in Toronto! It was a pleasure to attend with the ChemAI lab and talk about our work on measurement optimization for quantum computing in chemistry, and learn from many inspiring talks.
July 6, 2026 at 3:00 PM
Had a great time at the Canadian Societies for Chemistry and Chemical Engineering Conference x2026 in Toronto! It was a pleasure to attend with the ChemAI lab and talk about our work on measurement optimization for quantum computing in chemistry, and learn from many inspiring talks.
Uni Ulm fördert Forschungsinkubatoren zu molekularen Quanten-Bits und digitaler Diabetesforschung
Um Freiräume für innovative Projekte aus verschiedenen Fachbereichen schaffen, hat die Uni Ulm sogenannte Forschungsinkubatoren aufgelegt. Damit...
weiterlesen
Um Freiräume für innovative Projekte aus verschiedenen Fachbereichen schaffen, hat die Uni Ulm sogenannte Forschungsinkubatoren aufgelegt. Damit...
weiterlesen
March 30, 2026 at 3:22 PM
Uni Ulm fördert Forschungsinkubatoren zu molekularen Quanten-Bits und digitaler Diabetesforschung
Um Freiräume für innovative Projekte aus verschiedenen Fachbereichen schaffen, hat die Uni Ulm sogenannte Forschungsinkubatoren aufgelegt. Damit...
weiterlesen
Um Freiräume für innovative Projekte aus verschiedenen Fachbereichen schaffen, hat die Uni Ulm sogenannte Forschungsinkubatoren aufgelegt. Damit...
weiterlesen
🤝 Collaborate with us to push the boundaries of neurosymbolic AI in scientific discovery.
🔗Link to the position: jobs.ac.uk/job/DPB378
#NeuroSymbolicAI #AI4Science #ChemAI #Postdoc #Hiring #AcademicJobs
🔗Link to the position: jobs.ac.uk/job/DPB378
#NeuroSymbolicAI #AI4Science #ChemAI #Postdoc #Hiring #AcademicJobs
Research Associate positions in Computational Chemistry, AI in Chemistry, and in Neurosymbolic Learning for Chemistry at Imperial College London
Apply now for the Research Associate positions in Computational Chemistry, AI in Chemistry, and in Neurosymbolic Learning for Chemistry role on jobs.ac.uk - the leading job board for higher education ...
jobs.ac.uk
November 4, 2025 at 6:23 PM
🤝 Collaborate with us to push the boundaries of neurosymbolic AI in scientific discovery.
🔗Link to the position: jobs.ac.uk/job/DPB378
#NeuroSymbolicAI #AI4Science #ChemAI #Postdoc #Hiring #AcademicJobs
🔗Link to the position: jobs.ac.uk/job/DPB378
#NeuroSymbolicAI #AI4Science #ChemAI #Postdoc #Hiring #AcademicJobs
Televiziunea publică din Germania ABOLEȘTE cuvântul „mamă” şi îl înlocuieşte cu „persoană care naște” Aceştia sunt slugile satanei… Ar trebui întrebaţi: "Când erai mic, cum o chemai pe mama ta? Persoana care naşte? Părinte 1 sau Părinte 2?" 👉 […]
[Original post on mastodon.social]
[Original post on mastodon.social]
June 12, 2026 at 2:11 PM
Televiziunea publică din Germania ABOLEȘTE cuvântul „mamă” şi îl înlocuieşte cu „persoană care naște” Aceştia sunt slugile satanei… Ar trebui întrebaţi: "Când erai mic, cum o chemai pe mama ta? Persoana care naşte? Părinte 1 sau Părinte 2?" 👉 […]
[Original post on mastodon.social]
[Original post on mastodon.social]
Fiz um pmorraga em Pothyn que chemai de "sddiaofialcar", o qaul rceebe uma string e eahemrlaba taods as saus paavlrs, mtdnenao a pimreria e última ltrea de cdaa, tmb a do meio caso tenha mais de 5 cacarteres. Ivneírcl como meio q adina dá praa paegr o sditeno do ttxeo. Isso é tudo psesaol!
May 28, 2025 at 3:34 AM
Fiz um pmorraga em Pothyn que chemai de "sddiaofialcar", o qaul rceebe uma string e eahemrlaba taods as saus paavlrs, mtdnenao a pimreria e última ltrea de cdaa, tmb a do meio caso tenha mais de 5 cacarteres. Ivneírcl como meio q adina dá praa paegr o sditeno do ttxeo. Isso é tudo psesaol!
AI in higher education and research is a hot topic right now and Chemistry must move in this direction too. Dr Bruce Milne represented Aberdeen at this inspiring event, and now we begin developing our own part of this story...
#ChemSky 🧪
#ChemAI
@aichemyhub.bsky.social
#ChemSky 🧪
#ChemAI
@aichemyhub.bsky.social
🎉 What a week! Our (Gen)AI in Education workshop brought together minds from 26 UK universities, and what a day it was! From hands-on sessions to big-picture discussions, we explored how generative AI is reshaping learning, teaching, and research.
We're excited about where this is heading next!💡✨
We're excited about where this is heading next!💡✨
July 28, 2025 at 11:14 AM
AI in higher education and research is a hot topic right now and Chemistry must move in this direction too. Dr Bruce Milne represented Aberdeen at this inspiring event, and now we begin developing our own part of this story...
#ChemSky 🧪
#ChemAI
@aichemyhub.bsky.social
#ChemSky 🧪
#ChemAI
@aichemyhub.bsky.social
ChemAI Rebrands from Deepmatter to Revolutionize Digital Chemistry with AI Innovations#United_Kingdom#AI_Innovations#ChemAI#Digital_Chemistry#Leeds
ChemAI Rebrands from Deepmatter to Revolutionize Digital Chemistry with AI Innovations
ChemAI, formerly Deepmatter, has unveiled its new brand to signify a strategic growth plan focused on AI-driven innovations in digital chemistry and sustainable practices.
third-news.com
November 27, 2024 at 12:13 PM
ChemAI Rebrands from Deepmatter to Revolutionize Digital Chemistry with AI Innovations#United_Kingdom#AI_Innovations#ChemAI#Digital_Chemistry#Leeds
Botanical Wednesday: Winter is coming: Chemai
http://bit.ly/1avBv3D
http://bit.ly/1avBv3D
Error 404 (Not Found)!!1
bit.ly
December 18, 2024 at 4:58 AM
Botanical Wednesday: Winter is coming: Chemai
http://bit.ly/1avBv3D
http://bit.ly/1avBv3D
🧠💥 Join the Catechol Benchmark Hackathon!
With a rich dataset of transient flow ramps and solvent mixtures, this is your chance to test your models, explore real chemical data, and push the limits of AI-driven reaction prediction! ⚗️🤖
👉 Get involved: buff.ly/bW4WNg0
#AIchemyHub #Hackathon #ChemAI
With a rich dataset of transient flow ramps and solvent mixtures, this is your chance to test your models, explore real chemical data, and push the limits of AI-driven reaction prediction! ⚗️🤖
👉 Get involved: buff.ly/bW4WNg0
#AIchemyHub #Hackathon #ChemAI
Catechol Benchmark Hackathon (NeurIPS 2025 DnB) – aichemy
3rd November 8:00 AM
buff.ly
November 6, 2025 at 8:30 AM
🧠💥 Join the Catechol Benchmark Hackathon!
With a rich dataset of transient flow ramps and solvent mixtures, this is your chance to test your models, explore real chemical data, and push the limits of AI-driven reaction prediction! ⚗️🤖
👉 Get involved: buff.ly/bW4WNg0
#AIchemyHub #Hackathon #ChemAI
With a rich dataset of transient flow ramps and solvent mixtures, this is your chance to test your models, explore real chemical data, and push the limits of AI-driven reaction prediction! ⚗️🤖
👉 Get involved: buff.ly/bW4WNg0
#AIchemyHub #Hackathon #ChemAI
