Josh Rackers
@JoshRackersAlways Dada, sometimes a scientist, occasionally funny.
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Does equivariance matter at scale? ... When the twitter discourse gets so tiring that you actually go out and collect EVIDENCE :D There has been a lot of discussion over the years about whether one should build symmetries into your architecture to get better data efficiency, or…
Does equivariance matter when you have lots of data and compute? In a new paper with Sönke Behrends, @pimdehaan, and @TacoCohen, we collect some evidence. arxiv.org/abs/2410.23179 1/7
Fourier transform of Google Trends of Fourier transform
JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling @PrescientDesign • JAMUN introduces a generative model based on Walk-Jump Sampling (WJS) to efficiently generate molecular conformational ensembles, outperforming traditional molecular…
Dear cryo-EM women scientists, We want to honor you and your contributions at BPS 2025. This year, the Cryo-EM subgroup will honor a mid/senior-career woman scientist as the inaugural June Almeida awardee. June Almeida is the virologist who first discovered the coronavirus in…
We're delighted to have 5 papers accepted at #NeurIPS2024! 🏔️ Check out our papers below! 👇 1⃣ "Score-based 3D molecule generation with neural fields" @m_kirchmeyer, @pedroopinheiro, Saeed Saremi [Preprint coming soon!]
Great thread👇 I agree that universities & the scientific research enterprise generally need to find ways to financially support key infrastructure components that are often taken for granted as free, particularly if they are connected to open source. It’s key to sustainability
Hot take 🧵 on the @anacondainc academic licensing fiasco... Anaconda provides a huge amount of value to large, well-funded academic research institutions who are absolutely fine with paying big license fees to Mathworks, Intel, etc. for software. 1/
The strongest evidence for dark matter: In hot plasma like the early Universe structure can't persist. Whenever matter is compressed by gravity it is driven apart by radiation pressure The resulting oscillations wash out every seed of over density. Galaxies never form 1/6
🚨 PLEASE RT 🚨 Are you a comp chem trainee attending Fall ACS in Denver? Would you like to expand your network with mentors in industry & academia at the COMP Mentor Lunch? Fill out this form if you are interested in attending! forms.gle/XGYJBg4xzqoFuQ…
I'm co-founding a company with a close collaborator at the intersection of AI, statistical physics & biology. We're seeking VCs/ investors to help us focus on the tech as we scale & get ready for the stratosphere. If you're interested in co-building with us, DM or email me.
Yes, and several approaches already underway MDverse x.com/Matth_Chavent/… mdCATH x.com/AntonioMirarch… MDDB x.com/mddbEU/status/… MISATO x.com/PopowiczLab/st…
Artificial Intelligence is in urgent need of more refined datasets for drug discovery applications! Here is our contribution, the MISATO dataset: biorxiv.org/content/10.110…
I’m begging for some answer. I opened a ticket last week and I did not receive any reply. username: pablo-arantes @github
Artificial Intelligence is in urgent need of more refined datasets for drug discovery applications! Here is our contribution, the MISATO dataset: biorxiv.org/content/10.110…
Spherical harmonics underlies atomic cluster expansion and most equivariant message passing machine learning potentials. But it is not the only way. Take a look of how to do the same only using Cartesian coordinates. nature.com/articles/s4152…
The Theory and Comp subgroup from Biophysical Society has an early and a mid-career award, apply before August 1! please RT biophysics.org/awards-funding…
🚨Attention #biophysicists from ALL over the world 🌎! Submit your abstract for the Biophysics Fellows Research Conference #meeting hosted at the @NIH in 2025. Check out the details!👇 #biophysics #research #science @NIH_NINDS @NINDSDiversity @NIDDKgov @NIAIDNews @NICHD_NIH
This is some A-grade science communication elanapearl.github.io/blog/2024/the-…
Way to go @MosesChung11!
Congrats to 2024-25 MolSSI Software Fellow, Moses Chung @MosesChung11, a student with the Jay Ponder group @WUSTL who will implement a GPU-accelerated AMOEBA implicit solvent model to compute binding free energies toward developing next-generation force fields! Welcome, Moses!
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Who to follow
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Nathan C. Frey
@nc_frey -
Frank Noe
@FrankNoeBerlin -
Prescient Design
@PrescientDesign -
Michele Ceriotti
@MicheleCeriotti -
MolSSI
@MolSSI_NSF -
Parrinello Group
@GroupParrinello -
Julia Westermayr
@JWestermayr -
Gianni De Fabritiis
@gdefabritiis -
Olexandr Isayev 🇺🇦🇺🇸
@olexandr -
Simon Batzner
@simonbatzner -
John Chodera (he/him)
@jchodera -
Philippe Schwaller (he/him)
@pschwllr -
Tristan Bereau
@tristanbereau -
Rubén Laplaza
@ruben_laplaza -
Martin Vögele
@Blendenfleck
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