#MolecularDesign
📍
Trust me, I have solutions. Mostly chemical ones.
#ChemistryArt #ChemistryProblems #MolecularDesign #JohnRoss7 #BlueSky
May 5, 2026 at 12:43 PM
Exciting Opportunity for #Master 's Students to build an innovative application and design #carbohydrate structures as part of the @erc.europa.eu -funded GlycoRoads project led by @delbiancom.bsky.social

#glycotime #MolecularDesign #Bioinformatics
🚀 Exciting Opportunity for Master's Students! 🌟
Join us at @mpici.bsky.social to build an innovative application to design carbohydrate structures as part of the ERC-funded GlycoRoads project!
October 29, 2025 at 8:05 AM
September 30, 2025 at 10:23 AM
1/5🚀🔬 New paper alert!
We built a spring-loaded DNA origami nanorobot that can sense, compute, and act — basically, a molecular PC made of DNA 🧬💻
#DNAorigami #nanotech #robotics #moleculardesign #SciRobotics
www.science.org/doi/10.1126/...
Spring-loaded DNA origami arrays as energy-supplied hardware for modular nanorobots
Spring-loaded DNA origami arrays enable nanorobots to integrate diverse inputs with logic-based, sequential operations.
www.science.org
October 28, 2025 at 1:42 PM
Earlier this year we activated noether1 through noether8. These eight nodes are named after Emmy Noether, the revolutionary mathematician.

This expansion accelerates our creation of the world's most predictive AI models in chemicals & materials 🧠

#HPC, #AI, #Science, #MolecularDesign
April 4, 2025 at 1:10 AM
I am excited to share the publication of “Molecular Solar Thermal Energy Storage Systems - From Surface Science to Functional Devices” This book explores #moleculardesign, performance criteria, computational methods, phase change, #catalysis, and applications.

link.springer.com/series/10425
Advances in Atom and Single Molecule Machines
Advances in Atom and Single Molecule Machines is the first comprehensive series of books dealing specifically with single atom and molecule machines. Derived ...
link.springer.com
November 3, 2025 at 3:57 PM
CONHEÇA O Dy(pn)Cl

Desenvolvido na UFPR por parceria internacional, o magneto molecular pode ajudar a investigar o ambiente químico em torno de átomos individuais — e isso tem muito a ver com saúde.

Leia ➡️ https://ciencia.ufpr.br/portal/?p=23368

#ciênciaufpr #química #moleculardesign (1/2)
August 21, 2023 at 10:28 PM
📣 Calling all students and postdoctoral researchers in the field of molecular machine learning: submit your work to #MoML2025 @ MIT for free admission!
📄Submit: moml.mit.edu/submit
🐦 Register Early Bird for 40% off your ticket: moml.mit.edu/event-detail... #MachineLearning #moleculardesign
August 4, 2025 at 7:26 PM
🎥 Meet alvaBuilder: De Novo Molecular Design Made Simple!

Generate novel molecules, optimize properties, and streamline your design process with alvaBuilder.

📺 Watch the intro video: www.youtube.com/watch?v=YNS_...

#alvaBuilder #MolecularDesign #Cheminformatics #DrugDiscovery #QSAR
alvaBuilder introduction
YouTube video by Alvascience
www.youtube.com
January 9, 2025 at 4:13 PM
🚀 Design New Molecules with alvaBuilder!

Learn how to easily perform scaffold decoration and generate novel molecules with our intuitive software.

🎥 Watch the video: www.youtube.com/watch?v=Duu1...

#alvaBuilder #cheminformatics #scaffolddecoration #moleculardesign #alvascience
alvaBuilder - Scaffold decoration
YouTube video by Alvascience
www.youtube.com
December 12, 2024 at 10:44 AM
Protein-based materials are reviewed from applications to molecular modification and AI-driven design #ProteinMaterials #MolecularDesign #Biomaterials
Details: doi.org/10.1016/j.bi...
July 16, 2026 at 9:19 AM
Fresh from signing an alliance with Novartis, #ChaiDiscovery has raised $400 million in a third-round #financing to support the further development of its #AI-driven #moleculardesign platform.
AI specialist Chai Discovery raises $400m
Fresh from an alliance with Novartis, Chai Discovery has raised $400 million in third-round funding for its AI-based molecular design platform.
buff.ly
July 15, 2026 at 2:02 PM
📢 Call for Speakers! Want to present at ACS Fall 2025 in Washington, DC (Aug 17-21)? Submit an abstract for our Coarse-Grained Modeling symposium!

www.acs.org/events/fall....

#ACSFall2025 #CG #MolecularDesign #FormulationDesign
ACS Fall - American Chemical Society
Join us at ACS Fall 2025 in Washington, DC or online, August 17-21. Choose from thousands of presentations, network, attend courses and visit the expo.
www.acs.org
February 4, 2025 at 9:02 PM
👉 Don’t miss this Advance Article from #DigitalDiscovery featuring Megalodon 🦈, a scalable transformer-based architecture for multi-modal molecular diffusion and flow matching towards de novo 3D-molecule generation!

🖥️ Read more here! doi.org/10.1039/D5DD...

#MolecularDesign
February 2, 2026 at 7:31 AM
The Molecular Alchemists In the sterile corridors of pharmaceutical giants and the cluttered laboratories of biotech startups, a quiet revolution is unfolding. Scientists are no longer merely disco...

#humanintheloop #moleculardesign #generativeai #aidrugdiscovery

Origin | Interest | Match
The Molecular Alchemists
In the sterile corridors of pharmaceutical giants and the cluttered laboratories of biotech startups,...
dev.to
September 7, 2025 at 11:26 AM
✨AI designs molecules with newfound confidence! Researchers boosted AI’s reliability by teaching it to *know what it doesn’t know*. 🤯 #MolecularDesign

Source: https://phys.org/news/2025-04-ai-molecular-uncertainty-quantification.html
AI enhances molecular design with uncertainty quantification
In a major step toward more reliable AI-assisted molecular design, researchers from National Taiwan University have demonstrated that incorporating uncertainty quantification (UQ) into graph neural network (GNN) models significantly improves both the efficiency and robustness of molecular optimization.
phys.org
April 16, 2025 at 3:33 PM
Excellent job opportunity at another Max Planck Institute - in Mainz @graeterlab.bsky.social #job #W2 #MolecularDesign
April 7, 2025 at 9:54 AM
D-ExROPPP enables rapid prediction of diradical electronic states with spin-purity and superior computational scaling—achieving high-level method accuracy 100-200× faster, advancing rational design of quantum molecular qubits and optoelectronic devices.

#QuantumChemistry #MolecularDesign #Research
Fast, Accurate Spin-Pure Calculations of Organic Diradical Electronic Structure
arxiv.org
June 25, 2026 at 4:24 AM
CORNELL UNIVERSITY patent filing describes a hybrid quantum-classical framework combining energy-based machine learning with quantum annealing for accelerated molecular design and property optimization.

#QuantumChemistry #MolecularDesign #Patent
Quantum-Computing-Enhanced Molecular Design with Energy-Based Deep Learning
iq.fp2.dev
June 13, 2026 at 10:58 AM
We’ve programmed Au₁₃ clusters to dimerize using Fe ions! Careful ligand design allows stable Au₁₃ dimers with fast photoinduced charge transfer—unlocking new light-responsive functions. #Au13 #goldclusters #nanomaterials #photochemistry #moleculardesign doi.org/10.1039/D5NR...
July 7, 2025 at 6:29 AM
Our peptide drug design uses CRPs to improve the stability of smaller peptides. Happy to share that review on the topic #PeptideDrugs #Toxins #AMPs #MolecularDesign

…mistry-europe.onlinelibrary.wiley.com/doi/10.1002/cb…
Cysteine‐Rich Peptides: Hyperstable Scaffolds for Protein Engineering
Better in the loop: Cysteine-rich peptides possess hyperstability against high temperatures, salt concentration, serum presence, and proteolytic degradation. These peptides have been successfully use...
chemistry-europe.onlinelibrary.wiley.com
December 13, 2024 at 10:47 AM
Catenane with tuneable mechanical chirality created #Science #Chemistry #OrganicChemistry #Catenane #MolecularDesign #Chirality
Catenane with tuneable mechanical chirality created
The chirality of a compact cationic catenane can be controlled using chiral sulfonate anions
purescience.news
April 25, 2025 at 6:45 PM
📢 Webinar announcement by Affinity Science 🇯🇵

Hands-on online Japanese webinar on #alvaBuilder Jan 27, 2026
Discover how to generate new molecules from scratch based on molecular features and structural constraints.

🔗 affinity-science.com/news_2025122...

#DeNovoDesign #MolecularDesign
alvaModel/alvaRunner並びにalvaBuilderオンライン講習会開催のご案内 | 株式会社アフィニティサイエンス
2026年1月に開催するalvaModelオンライン講習会とalvaBuilderオンライン講習会のご案内ニュース
affinity-science.com
December 23, 2025 at 9:11 AM
🧩 Learn more about alvaBuilder here: www.alvascience.com/alvabuilder/
📖 Read the publication: Mauri, A., & Bertola, M. (2023). AlvaBuilder: A Software for De Novo Molecular Design. doi.org/10.1021/acs....

#alvaBuilder #DeNovoDesign #Cheminformatics #DrugDiscovery #MolecularDesign #QSAR #chemsky
alvaBuilder - Alvascience
alvaBuilder AlvaBuilder is a software tool for de novo molecular design (Mauri, A., & Bertola, M. (2024). AlvaBuilder: A Software for De Novo Molecular Design.
www.alvascience.com
October 8, 2025 at 12:13 PM