Edvin Fako @efssh
Computational Chemistry and Machine Learning @SchwallerGroup @EPFL | @BASF | @TheorHetCatICIQ | scientific Illustrations when time allows scholar.google.com/citations?user… Lucerne, Switzerland Joined February 2019-
Tweets140
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Followers313
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Following315
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Likes504
Edvin Fako retweeted
Which foundation MLIP is best suited for your application? The MLIPX framework can help you answering this question. Checkout the Paper iopscience.iop.org/article/10.108… and github.com/basf/mlipx #MLIPX
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Edvin Fako retweeted
Check out the fantastic entries, adsKRK and DynoAgent, from the @SchwallerGroup's LLMs for Materials and Chemistry Applications Hackathon team! From heterogeneous catalysis to proteins - MD simulations made simple and explainable 🚀 @efssh @XuanVuNguyen18 @6ojaHa Ryo, Salomé,…
Check out the fantastic entries, adsKRK and DynoAgent, from the @SchwallerGroup's LLMs for Materials and Chemistry Applications Hackathon team! From heterogeneous catalysis to proteins - MD simulations made simple and explainable 🚀 @efssh @XuanVuNguyen18 @6ojaHa Ryo, Salomé,…
Edvin Fako retweeted
🚨 PhD & Postdoc positions in Computational Chemistry 🚨 Funded by SNSF + ERC Starting Grant in my group @unifrChemistry (Fribourg 🇨🇭). Focus: ML × DFT (method development & applications). Please RT 🙏 📄 Info & apply: unifr.ch/chem/en/assets…
Learn how to render multiple molecules from a single multi-frame .xyz file in Blender! 🧪 Hands-on session recording from the AIChemist School: bridging explainable AI and chemistry. @SchwallerGroup Watch here: youtube.com/watch?v=aqolcc… More info: github.com/schwallergroup…
Edvin Fako retweeted
Thrilled to present our new work on Reinforcement Learning for 3D Crystal Diffusion Generation in #AI4Mat at #ICLR2025 ! We show that RL can optimize diffusion models for goal-directed crystal generation. Thanks to @pschwllr and @SchwallerGroup ! openreview.net/forum?id=Ovxfr…
Edvin Fako retweeted
Hello from Singapore 🇸🇬! Thrilled to be at #ICLR2025 presenting our work on fragment-based drug discovery 🧩. We go beyond virtual screening with a generative, structure-aware approach. 📃 openreview.net/forum?id=bZW1H… 🔗 github.com/rneeser/Latent… A thread 🧵👇
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