
Soojung Yang
@SoojungYang2
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Molecular simulations and AI for proteins! PhD student @ MIT @RGBLabMIT / website: https://t.co/xHAeCEclfm
Joined September 2020
@genbio_workshop @LucasPinede @junonam_ @RGBLabMIT @sihyun_yu Unfortunately both @LucasPinede and I won't be at ICML in person this year. But our poster will be at the workshop š Feel free to DM us or email our lead author (lucasp at about the paper! Preprint coming very soon, please tune in! (4/n, N=4).
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@genbio_workshop @LucasPinede @junonam_ @RGBLabMIT At low noise, emulator scores ā physical forces. Even w/o alignment loss, emulator embeddings drift toward MLIP's. Inspired by @sihyun_yuās REPA, we add a loss to encourage this ā and training becomes faster & better. (3/n)
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@genbio_workshop @LucasPinede @junonam_ @RGBLabMIT Boltzmann emulators can sample conformations cheaper than MD but are expensive to train. They need equilibrium data, which is very hard to get. But⦠MLIPs like MACE are trained on tons of noneq. data. What if we transfer knowledge from force models to generative models? (2/n).
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š Come check our poster at ICML @genbio_workshop!.We show that pretrained MLIPs can accelerate training of Boltzmann emulators ā by aligning their internal representations. Coauthors @LucasPinede, @junonam_, @RGBLabMIT (1/n)
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RT @satyanadella: Understanding protein motion is essential to understanding biology and advancing drug discovery. Today weāre introducingā¦.
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RT @FrankNoeBerlin: Huge shoutout to the outstanding team: Sarah Lewis, Tim @tmhmpl, JosĆ© @josejimlun, Michael Gastegger, Yu @YuuuXie, Andrā¦.
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RT @FrankNoeBerlin: BioEmu now published in @ScienceMagazine !! . What is BioEmu? Check out this video: .
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RT @jacksonnn18: Our review paper is now live! š.We dive into how in-situ cryoET allows us to not only view proteins inside their native ceā¦.
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RT @ChoYehlin: š Excited to release BoltzDesign1!. ⨠Now with LogMD-based trajectory visualization. š Demo: Feedbacā¦.
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RT @ChoYehlin: I'll be attending @iclr_conf and the @gembioworkshop! š§ āØIf you're around and want to meet up or chat, feel free to DM me! š.
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RT @HannesStaerk: New paper (and #ICLR2025 Oral :)): .ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids https://tā¦.
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RT @jonkhler: Spending the Easter days prepping for #ICLR2025 in #singapore šš¤©. If you want to meet/catch up on @cusp_ai #AI4Science #Machiā¦.
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Excited for #ICLR2025! I'll be there 4/25~ to organize the GEM Bio Workshop @gembioworkshop to bridge experiments and ML in bio š„° If you want to meet up on ML for proteins / dynamics / simulation, DM me! . I'm curious to learn about academic/industry opportunities out there!.
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RT @ask1729: 1/ Machine learning force fields are hot right now š„: models are getting bigger + being trained on more data. But how do we baā¦.
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RT @MSFTResearch: Meet BioEmu-1 from Microsoft Research. This deep learning model can generate thousands of protein structures per hour, unā¦.
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RT @FrankNoeBerlin: The BioEmu-1 model and inference code are now public under MIT license!!! . Please go ahead, play with it and let us knā¦.
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RT @MSFTResearch: Microsoft researchers introduce MatterGen, a model that can discover new materials tailored to specific needsālike efficiā¦.
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RT @HannesStaerk: Awesome paper!.BioEmu from MSR: Scalable emulation of protein equilibrium ensembles with generative deep learning https:/ā¦.
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RT @DhimanRay16: Just out in @JChemPhys! Integrating Weighted Ensemble (@WestpaSoftware) with OPES-Flooding for accurate and efficient calcā¦.
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