👉 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

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

📢 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

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 ...

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

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

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.

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/...

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.

🧩 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

🔗 Read the full newsletter: deepmirror.substack.com/p/deepmirror...

#AIforDrugDiscovery #MolecularDesign #AI #DrugDiscovery

The Molecular Alchemists In the sterile corridors of pharmaceutical giants and the cluttered laboratories of biotech startups,...

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

📣 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

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...

🐝 Happy #WorldBeeDay from Alvascience!

Our name comes from alvarium (Latin for beehive), and our logo reflects both benzene rings and honeycomb cells - a tribute to nature and chemistry working in harmony.

#Cheminformatics #MolecularDesign #Alvascience #BeeInspired

Catenane with tuneable mechanical chirality created The chirality of a compact cationic catenane can be controlled using chiral sulfonate anions

Catenane with tuneable mechanical chirality created #Science #Chemistry #OrganicChemistry #Catenane #MolecularDesign #Chirality

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.

✨AI designs molecules with newfound confidence! Researchers boosted AI’s reliability by teaching it to *know what it doesn’t know*. 🤯 #MolecularDesign

Source: phys.org/news/2025-04-ai-molecula...

Excellent job opportunity at another Max Planck Institute - in Mainz @graeterlab.bsky.social #job #W2 #MolecularDesign

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

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.

📢 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

🎥 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

Title: Playful Molecules

#AbstractArt #ModernArt #ColorfulArt #MolecularDesign #ArtInspiration #VibrantColors #CircleArt #ContemporaryArt #PlayfulAbstract #OriginalArtwork #CreativeEnergy #ArtCollectors #artlovers

🚀 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

🌟 Discover the Alvascience Software Suite!

Explore how alvaMolecule, alvaDesc, alvaModel, alvaRunner, and alvaBuilder can boost your cheminformatics, QSAR/QSPR modeling, and de novo design.

📽️ Watch now: www.youtube.com/watch?v=um8s...

#Cheminformatics #QSAR #QSPR #Alvascience #MolecularDesign

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...

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…