iiinova — where your digital self keeps evolving

Reposted by Magdalena Lederbauer

Ben Blaiszik @benblaiszik.bsky.social · 24/06/2025

Merged community requests from Oliver Schilter and @mlederbauer.bsky.social. Thank you. 🙌 Other minor: There is now a changelog with relevant info about each dataset. It is generated by AI, but seems good for a changelog.

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Reposted by Magdalena Lederbauer

IOPP Machine Learning and AI @iopp-mlresearch.bsky.social · 04/06/2025

🚨 Dataset article alert! 🚨 Wellawatte, @mlederbauer.bsky.social, @pschwllr.bsky.social and coauthors introduce a new open-source #dataset with >1,000 entries specifically designed for #LLMs applications in #chemistry. #MachineLearningScienceandTechnology #ChemSky 🧪 Article here: bit.ly/4kHdY6x

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Magdalena Lederbauer @mlederbauer.bsky.social · 05/06/2025

Thank you so much for sharing 💪 We are incredibly excited to share the work with the community -- chemistry is a fascinating and/but heterogeneous science. Kudos to the team and looking forward to future contributions to the field!

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Reposted by Magdalena Lederbauer

Jeff Guo @jeff-guo.bsky.social · 14/05/2025

Generate property-optimized small molecules with 𝘴𝘵𝘦𝘦𝘳𝘢𝘣𝘭𝘦 𝘢𝘯𝘥 𝘨𝘳𝘢𝘯𝘶𝘭𝘢𝘳 synthesizability control - allowing complete user-flexibility to impose various reaction constraints! Pre-print: arxiv.org/abs/2505.08774 Code: github.com/schwallergro... (1/4)

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Magdalena Lederbauer @mlederbauer.bsky.social · 15/05/2025

Proud to be an "Entalpist" – We are officially out of stealth mode! ⚛️🚀

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Reposted by Magdalena Lederbauer

Entalpic @entalpic.bsky.social · 15/05/2025

Have you noticed something different about @entalpic.bsky.social ? 👀 That’s right! Entalpic is officially out of stealth—a new identity that embodies our vision: leveraging Generative AI to accelerate the transition towards cleaner, smarter materials and industrial processes.

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Magdalena Lederbauer @mlederbauer.bsky.social · 06/03/2025

Highly recommend to get involved in LeMaterial; we’re building a fantastic platform to advance materials discovery as a **community effort**! You can join from all across the world via the slack channel below. P.S: The LLM Synthesis working group meets this Friday, March 7th. Make sure to tune in!🧪

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Reposted by Magdalena Lederbauer

Digital Chemistry Laboratory @dcl-ethz.bsky.social · 27/01/2025

Digital Chemistry Laboratory is excited to be on BlueSky 👋 We are a research group at ETH Zurich led by @valencekjell.com that develops digital solutions to chemical problems in catalysis and molecular design 🖥️ 🧪 More about us: dcl.ethz.ch See you here for the news and research updates!

dcl.ethz.ch

Homepage - DCL

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Reposted by Magdalena Lederbauer

Jen Iofinova @ohaijen.bsky.social · 14/11/2024

OK, let's try a post. Please share! I am a community lead for C4AI (cohere.com/research). We host a lot of talks. Normally we reach out to people, but: You can nominate yourself for a talk. It's a great way to get exposure - all talks end up on on the Cohere youtube channel. shorturl.at/xiCu2

docs.google.com

Propose a talk! - C4AI Open Science Community Guest Speakers

https://cohere.com/ Hey there! The Cohere For AI open science community is a space for ML researchers to collaborate and progress on their research journeys together. Every year, we have the privilege...

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Reposted by Magdalena Lederbauer

Alexandre Duval @NeurIPS @aduvalinho.bsky.social · 11/12/2024

⚛️🤗 Announcing LeMaterial ⚛️🤗 @hf.co & @entalpic.bsky.social are teaming up to release LeMaterial -- an open source initiative aiming to facilitate (AI for) materials discovery ! Datasets, hash function, tools to explore the chemical space & more ! huggingface.co/blog/lemater...

huggingface.co

LeMaterial: an open source initiative to accelerate materials discovery and research

We’re on a journey to advance and democratize artificial intelligence through open source and open science.

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Reposted by Magdalena Lederbauer

Ben Blaiszik @benblaiszik.bsky.social · 22/11/2024

Quick introduction. 👋 Here are some things I do: 🤖 Use AI/ML to supercharge science - from analysis to prediction, to automation 🔨 Build data infra so researchers can do more science with less overhead 🌟 Contribute to open code, data, and science 🤝 Build communities for modern research.

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Reposted by Magdalena Lederbauer

Ewa Pastorczak @ewapastorczak.bsky.social · 22/11/2024

The community turned out to be quite large, so I'm making a sequel: go.bsky.app/9H4Ldqx If you'd like to be in it, or you know someone who should be here, please let me know. Please follow, share, join, and generally - be supportive! 👩‍🔬

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Reposted by Magdalena Lederbauer

Ben Blaiszik @benblaiszik.bsky.social · 21/11/2024

Started a second AI Science Connect pack. Let's keep building the community. It's been really amazing to see the great AI for science conversations over the past week. Please self nominate, or send me others who should be added! Pack 2: go.bsky.app/GnFTUM6 Pack 1 (full): go.bsky.app/JeFdryY

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Magdalena Lederbauer @mlederbauer.bsky.social · 21/11/2024

Thrilled to join the Bluesky community! 🦋 Looking forward to connecting with the digital chemistry & AI4Science folks here. Thanks to @leif7ieben.bsky.social for the encouragement and fantastic starter packs! Any further pointers are very welcome!

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