
Rohith Krishna
@r_krishna3
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RFdiffusion2 generates new enzyme structures just from the most basic descriptions of their geometry. See @woodyahern's thread to see the next generation of de novo enzyme design:.
New enzymes can unlock chemistry we never had access to before. Here, we introduce RFdiffusion2 (RFD2), a generative model that makes significant strides in de novo enzyme design. Preprint: Code: coming soon.Animation credit: (1/n)
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Excited for the next generation of enzyme design from minimal atomic motifs. Congrats @woodyahern, @json_yim and Doug Tischer!.
RFdiffusion2 is now live!. You can now design proteins, and in particular enzymes from just partially defined amino acid side chains, and without defining their sequence position or order!.Great job @r_krishna3 @woodyahern @dougtischer and everyone else!
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RT @SimMat20: Great to finally have this available for people 🙌.Thank you to everyone involved, especially @nscorley & @r_krishna3! We'll b….
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Special shout out to Nate Corley, @SimMat20 and Frank DiMaio who led the charge!.
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Today, we're releasing a software suite to train biomolecular neural networks called AtomWorks. We have already used it to train performant networks in our group -- we hope that others find it as useful as we do!.Check it out at
github.com
A generalized computational framework for biomolecular modeling. - RosettaCommons/atomworks
AtomWorks is out! Building upon @biotite_python, we built for a toolkit for all things biomolecules and trained RF3 with it. All open-source, test it via `pip install atomworks`!. AtomWorks: RF3: Paper: 1/6
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Excited to see this out! congrats @DaveJuergens and team :).
Late, but got it done. Inference and training code for CA RFDiffusion is available here: Please have fun. Getting this online was an adventure, to say the least.
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@woodyahern One of the best parts of science: working with insanely talented colleagues who constantly push the limits of what's possible. Big shoutout to @woodyahern and @json_yim for keeping the standard sky-high.
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RT @json_yim: RFdiffusion => generative binder design. RFdiffusion2 => generative enzyme design. It's rare to find scientists with deep kn….
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RT @DaveJuergens: Anna and Sam figured out subtle geometric details of serine hydrolase active sites, and then figured out how make new pro….
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RT @DeepaHRajan: How can a single cell learn without a brain or nervous system? We explore this in my new preprint with @WallaceUcsf! We di….
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RT @yilunliao: 🧵(1/7) Excited to share that our work, EquiformerV2, has been accepted to #ICLR2024. EquiformerV2 is the state-of-the-art on….
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Our work on modeling and designing biomolecular assemblies is now in @ScienceMagazine. RFAA Code: RFdiffusionAA Code:
github.com
Public RFDiffusionAA repo. Contribute to baker-laboratory/rf_diffusion_all_atom development by creating an account on GitHub.
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RT @SusanaVazTor: 🎉 Excited to share that our paper "De novo design of high-affinity binders of bioactive helical peptides" is officially o….
nature.com
Nature - A study describes a direct computational approach without experimental optimization to design high-affinity proteins that bind small helical peptides.
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RT @ArvindSPillai1: Excited to share a new preprint we just released on the de novo design of allosterically controllable protein assemblie….
biorxiv.org
Allosteric modulation of protein function, wherein the binding of an effector to a protein triggers conformational changes at distant functional sites, plays a central role in the control of metabo...
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We are planning on releasing code & weights in the coming months (we're super committed to making it available as soon as reasonably possible)!.
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RT @woodyahern: RFdiffusionAA generating a small molecule binding protein against an experimental FXIa inhibitor (OQO), a ligand which is s….
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RT @sokrypton: RoseTTAFold updated to be All-Atom. biological assemblies containing proteins, nucleic acids, small molecules, metals, and….
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RT @json_yim: Sharing an early preprint of my Microsoft AI4Science summer internship project. We developed SE(3) flow matching for protein….
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@woodyahern @PreethamVi @ikalvet This has been an extremely exciting and collaborative project amongst many people at @UWProteinDesign including @jueseph, @woodyahern, @PascalSturmfels and many more at the UW and beyond! n/n.
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