Workshop
Machine Learning in Structural Biology
Gabriele Corso 路 Simon Duerr 路 Gina El Nesr 路 Zeming Lin 路 Sergey Ovchinnikov 路 Vignesh Ram Somnath 路 Hannah Wayment-Steele
East Meeting Room 11, 12
Sun 15 Dec, 8:30 a.m. PST
Structural biology is the study of biological function with the awareness that molecules exist in four dimensions. AlphaFold2 demonstrated deep learning鈥檚 capability to solve one low-hanging problem in this field: predicting a single protein structure from its sequence, trained from the ~180,000 structures standardized and collected in the Protein Data Bank. However, there remain many harder unsolved challenges that need progress if we wish to understand and design functional biomolecules. There is a strong need to gather deep learning experts and biologists together to address these challenges. We have assembled and confirmed a set of diverse speakers who are world leaders in current challenges, including how to incorporate large-scale stability datasets, dynamics, ligand binding, into the fold of modern deep learning for structural biology. One of the biggest bottlenecks for all of these problems is the data available for training and how to create clear and stringent tests to evaluate progress. Our workshop will highlight two new benchmarks in a special track of our call for papers, and create a platform for open-sourced models, in collaboration with HuggingFace. We anticipate this workshop to be of great interest to many NeurIPS attendees, and to create lasting impact in establishing benchmarks and accessible modelling resources for deep learning and structural biology communities.
Schedule
Sun 8:30 a.m. - 8:35 a.m.
|
Opening Remarks
SlidesLive Video |
馃敆 |
Sun 8:35 a.m. - 9:00 a.m.
|
Noeliz Ferruz: Tailored protein design with Conditional Language models
(
Invited Talk
)
>
SlidesLive Video |
Noelia Ferruz 馃敆 |
Sun 9:00 a.m. - 9:15 a.m.
|
The OMG dataset: An Open MetaGenomic corpus for mixed-modality genomic language modeling
(
Oral
)
>
SlidesLive Video |
Yunha Hwang 路 Andre Cornman 路 Jacob West-Roberts 路 Martin Beracochea 路 Sergey Ovchinnikov 路 Simon Roux 路 Antonio Camargo 路 Milot Mirdita 馃敆 |
Sun 9:15 a.m. - 9:40 a.m.
|
Josh Abramson (AF3 Team): Biomolecular Structure Prediction with AlphaFold3
(
Invited Talk
)
>
SlidesLive Video |
馃敆 |
Sun 9:40 a.m. - 9:55 a.m.
|
Break
|
馃敆 |
Sun 9:55 a.m. - 10:20 a.m.
|
Erika Alden DeBenedictis: How do we make the next PDB? Introducing Align鈥檚 Data Platform
(
Invited Talk
)
>
SlidesLive Video |
Erika DeBenedictis 馃敆 |
Sun 10:20 a.m. - 10:35 a.m.
|
Controllable All-Atom Generation of Protein Sequence and Structure from Sequence-Only Inputs
(
Oral
)
>
SlidesLive Video |
Amy Lu 路 Wilson Yan 路 Kevin Yang 路 Vladimir Gligorijevic 路 Kyunghyun Cho 路 Richard Bonneau 路 Pieter Abbeel 路 Nathan Frey 馃敆 |
Sun 10:35 a.m. - 10:50 a.m.
|
Protein Language Model Fitness is a Matter of Preference
(
Oral
)
>
SlidesLive Video |
Cade Gordon 路 Amy Lu 路 Pieter Abbeel 馃敆 |
Sun 10:50 a.m. - 11:15 a.m.
|
Gabe Rocklin: Learning the determinants of protein folding energy landscapes from large-scale experiments
(
Invited Talk
)
>
SlidesLive Video |
Gabriel Rocklin 馃敆 |
Sun 11:15 a.m. - 11:20 a.m.
|
Word from Sponsors
|
Raphael Townshend 馃敆 |
Sun 11:20 a.m. - 12:20 p.m.
|
Poster Session - I / Lunch
|
馃敆 |
Sun 12:20 p.m. - 12:45 p.m.
|
Jennifer Listgarten: Protein-Protein Interactions in Synthetic Co-Evolution & Other Stories
(
Invited Talk
)
>
SlidesLive Video |
Jennifer Listgarten 馃敆 |
Sun 12:45 p.m. - 1:00 p.m.
|
Generative modeling of protein ensembles guided by crystallographic electron densities
(
Oral
)
>
SlidesLive Video |
Sai Advaith Maddipatla 路 Nadav Sellam 路 Sanketh Vedula 路 Ailie Marx 路 Alex Bronstein 馃敆 |
Sun 1:00 p.m. - 1:15 p.m.
|
Improving Ab-Initio Cryo-EM Reconstruction with Semi-Amortized Pose Inference
(
Oral
)
>
link
SlidesLive Video |
Shayan Shekarforoush 路 David Lindell 路 Marcus Brubaker 路 David Fleet 馃敆 |
Sun 1:15 p.m. - 1:30 p.m.
|
Break
|
馃敆 |
Sun 1:30 p.m. - 1:55 p.m.
|
Milot Mirdita: Challenges to metagenomic annotation with Foldseek and protein language models
(
Invited Talk
)
>
SlidesLive Video |
Milot Mirdita 馃敆 |
Sun 1:55 p.m. - 2:20 p.m.
|
Jeremy Wohlwend: Boltz-1: Democratizing Biomolecular Interaction Modeling
(
Invited Talk
)
>
SlidesLive Video |
Jeremy Wohlwend 馃敆 |
Sun 2:20 p.m. - 2:35 p.m.
|
FlowPacker: protein side-chain packing with torsional flow matching
(
Oral
)
>
SlidesLive Video |
Jin Sub Lee 路 Philip Kim 馃敆 |
Sun 2:35 p.m. - 2:50 p.m.
|
HelixFlow, SE(3)鈥揺quivariant Full-atom Design of Peptides With Flow-matching Models
(
Oral
)
>
SlidesLive Video |
Xuezhi Xie 路 Pedro A Valiente 路 Jisun Kim 路 Jin Sub Lee 路 Philip Kim 馃敆 |
Sun 2:50 p.m. - 3:10 p.m.
|
Break
|
馃敆 |
Sun 3:00 p.m. - 3:05 p.m.
|
Word from PINDER/PLINDER Competition
SlidesLive Video |
Simon Duerr 馃敆 |
Sun 3:05 p.m. - 3:15 p.m.
|
PLINDER / PINDER Competition Talks
(
Oral
)
>
SlidesLive Video |
馃敆 |
Sun 3:15 p.m. - 3:55 p.m.
|
Panel Session
SlidesLive Video |
馃敆 |
Sun 3:55 p.m. - 4:00 p.m.
|
Closing Remarks
SlidesLive Video |
馃敆 |
Sun 4:00 p.m. - 5:00 p.m.
|
Poster Session - II / Happy Hour
|
馃敆 |
-
|
LatentDE: Latent-based Directed Evolution accelerated by Gradient Ascent for Protein Sequence Design
(
Poster
)
>
|
Thanh Tran 路 Nhat Khang Ngo 路 Viet Thanh Duy Nguyen 路 Truong Son Hy 馃敆 |
-
|
Assessing interaction recovery of predicted protein-ligand poses
(
Poster
)
>
|
Fr茅d茅ric Dreyer 路 David Errington 路 C茅dric Bouysset 路 Constantin Schneider 馃敆 |
-
|
Improving Inverse Folding models at Protein Stability Prediction without additional Training or Data
(
Poster
)
>
|
13 presentersOliver Dutton 路 Sandro Bottaro 路 Michele Invernizzi 路 Istvan Redl 路 Albert Chung 路 Hoffmann 路 Louie Henderson 路 Stefano Ruschetta 路 Fabio Airoldi 路 Benjamin M J Owens 路 Patrik Foerch 路 Carlo Fisicaro 路 Kamil Tamiola |
-
|
Improving Antibody Design with Force-Guided Sampling in Diffusion Models
(
Poster
)
>
|
Paulina Kulyte 路 Francisco Vargas 路 Simon Mathis 路 Yuguang Wang 路 Jos茅 Miguel Hern谩ndez-Lobato 路 Pietro Li貌 馃敆 |
-
|
Equivariant Blurring Diffusion for Multiscale Generation of Molecular Conformer
(
Poster
)
>
|
Jiwoong Park 路 Yang Shen 馃敆 |
-
|
Active Learning for Affinity Prediction of Antibodies
(
Poster
)
>
|
Alexandra Gessner 路 Sebastian Ober 路 Owen Vickery 路 Dino Oglic 路 Talip Ucar 馃敆 |
-
|
IgBlend: Unifying 3D Structure and Sequence for Antibody LLMs
(
Poster
)
>
|
Cedric Malherbe 路 Talip Ucar 馃敆 |
-
|
Learning the Language of Protein Structures
(
Poster
)
>
|
Jeremie DONA 路 Benoit Gaujac 路 Thomas Barrett 路 Timothy Atkinson 路 Liviu Copoiu 路 Thomas PIERROT 馃敆 |
-
|
moPPIt: De Novo Generation of Motif-Specific Binders with Protein Language Models
(
Poster
)
>
|
Tong Chen 路 Yinuo Zhang 路 Zachary Quinn 路 Pranam Chatterjee 馃敆 |
-
|
Improving generalisability of 3D binding affinity models in low data regimes
(
Poster
)
>
|
Julia Milena Buhmann 路 Ward Haddadin 路 Alan Bilsland 路 Luk谩拧 Pravda 路 Hagen Triendl 馃敆 |
-
|
Active Learning for Energy-Based Antibody Optimization and Enhanced Screening
(
Poster
)
>
|
Kairi Furui 路 Masahito Ohue 馃敆 |
-
|
Conditional Enzyme Generation Using Protein Language Models with Adapters
(
Poster
)
>
|
Jason Yang 路 Aadyot Bhatnagar 路 Jeffrey Ruffolo 路 Ali Madani 馃敆 |
-
|
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
(
Poster
)
>
|
Lucy Vost 路 Vijil Chenthamarakshan 路 Payel Das 路 Charlotte Deane 馃敆 |
-
|
Understanding Protein-DNA Interactions by Paying Attention to Protein and Genomics Foundation Models
(
Poster
)
>
|
Dhruva Rajwade 路 Erica Wang 路 Aryan Satpathy 路 Alexander Brace 路 Hongyu Guo 路 Arvind Ramanathan 路 Shengchao Liu 路 Animashree Anandkumar 馃敆 |
-
|
SPECTRE: A Spectral Transformer for Molecule Identification
(
Poster
)
>
|
Wangdong Xu 馃敆 |
-
|
Similarity-Aware Relative Difference Learning for Improved Molecular Activity Prediction
(
Poster
)
>
|
Karina Zadorozhny 路 Kangway Chuang 路 Bharath Sathappan 路 Ewan Wallace 路 Vishnu Sresht 路 Colin Grambow 馃敆 |
-
|
HERMES: Holographic Equivariant neuRal network model for Mutational Effect and Stability prediction
(
Poster
)
>
|
Gian Marco Visani 路 Michael Pun 路 William Galvin 路 Eric Daniel 路 Kevin Borisiak 路 Utheri Wagura 路 Armita Nourmohammad 馃敆 |
-
|
Adapting protein language models for structure-conditioned design
(
Poster
)
>
|
Jeffrey Ruffolo 路 Aadyot Bhatnagar 路 Joel Beazer 路 Stephen Nayfach 路 Jordan Russ 路 Emily Hill 路 Riffat Hussain 路 Joseph Gallagher 路 Ali Madani 馃敆 |
-
|
Allo-Allo: Data-efficient prediction of allosteric sites
(
Poster
)
>
|
Tianze Dong 路 Christopher Kan 路 Kapil Devkota 路 Rohit Singh 馃敆 |
-
|
GFlowNet Pretraining with Inexpensive Rewards
(
Poster
)
>
|
Mohit Pandey 路 Gopeshh Subbaraj 路 Emmanuel Bengio 馃敆 |
-
|
Benchmarking text-integrated protein language model embeddings and embedding fusion on diverse downstream tasks
(
Poster
)
>
|
Young Su Ko 馃敆 |
-
|
RNAgrail: graph neural network and diffusion model for RNA 3D structure prediction
(
Poster
)
>
|
Marek Justyna 馃敆 |
-
|
Functional Alignment of Protein Language Models via Reinforcement Learning with Experimental Feedback
(
Poster
)
>
|
Nathaniel Blalock 路 Srinath Seshadri 路 Philip Romero 馃敆 |
-
|
Antibody Library Design by Seeding Linear Programming with Inverse Folding and Protein Language Models
(
Poster
)
>
|
Conor Hayes 路 Andre Goncalves 路 Steven Magana-Zook 路 Ahmet Solak 路 Daniel faissol 路 Mikel Landajuela 馃敆 |
-
|
EpiGraph: Recommender-Style Graph Neural Networks for Highly Accurate Prediction of Conformational B-Cell Epitopes
(
Poster
)
>
|
13 presentersJune Shin 路 Yen-Lin Chen 路 Nathan Rollins 路 Thomas Hopf 路 Jordan Anderson 路 Michael Cianci 路 Daniela Cipolletta 路 Jyothsna Visweswaraiah 路 Yi Xing 路 Colin Lipper 路 Kevin Otipoby 路 Nathan Higginson-Scott 路 Ryan Peckner |
-
|
MF-LAL: Drug Compound Generation Using Multi-Fidelity Latent Space Active Learning
(
Poster
)
>
|
Peter Eckmann 路 Dongxia Wu 路 Germano Heinzelmann 路 Michael Gilson 路 Rose Yu 馃敆 |
-
|
Higher-Order Message Passing for Glycan Representation Learning
(
Poster
)
>
|
Roman Joeres 路 Daniel Bojar 馃敆 |
-
|
LOCAS: Multi-label mRNA Localization with Supervised Contrastive Learning
(
Poster
)
>
|
Abrar Rahman Abir 路 Toki Tahmid 路 M Saifur Rahman 馃敆 |
-
|
Does Structural Information Improve ESM3 for Protein Binding Affinity Prediction?
(
Poster
)
>
|
Thomas Loux 路 Dianzhuo Wang 馃敆 |
-
|
Unified Sampling and Ranking for Protein Docking with DFMDock
(
Poster
)
>
|
Lee-Shin Chu 路 Sudeep Sarma 路 Jeffrey Gray 馃敆 |
-
|
Expanding Automated Multiconformer Ligand Modeling to Macrocycles and Fragments
(
Poster
)
>
|
Jessica Flowers 馃敆 |
-
|
Protein Sequence Domain Annotation using Language Models
(
Poster
)
>
|
Arpan Sarkar 路 Kumaresh Krishnan 路 Sean Eddy 馃敆 |
-
|
ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids
(
Poster
)
>
|
Hannes St盲rk 路 Bowen Jing 路 Tomas Geffner 路 Jason Yim 路 Tommi Jaakkola 路 Arash Vahdat 路 Karsten Kreis 馃敆 |
-
|
Rapid protein structure assessment via a forward model for NMR spectra
(
Poster
)
>
|
Benjamin Harding 路 Chad Rienstra 路 Hannah Wayment-Steele 路 Ziling Hu 路 Frank Delaglio 路 Rajat Garg 路 Katherine Henzler-Wildman 路 Timothy Grant 馃敆 |
-
|
PropEn: Optimizing Proteins with Implicit Guidance
(
Poster
)
>
|
Nata拧a Tagasovska 路 Vladimir Gligorijevic 路 Kyunghyun Cho 路 Andreas Loukas 馃敆 |
-
|
Bayesian Optimisation for Protein Sequence Design: Gaussian Processes with Zero-Shot Protein Language Model Prior Mean
(
Poster
)
>
|
Carolin Benjamins 路 Shikha Surana 路 Oliver Bent 路 Marius Lindauer 路 Paul Duckworth 馃敆 |
-
|
Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences
(
Poster
)
>
|
Niklas Schmidinger 路 Lisa Schneckenreiter 路 Philipp Seidl 路 Johannes Schimunek 路 Sohvi Luukkonen 路 Pieter-Jan Hoedt 路 Johannes Brandstetter 路 Andreas Mayr 路 Sepp Hochreiter 路 G眉nter Klambauer 馃敆 |
-
|
Retrieval Augmented Protein Language Models for Protein Structure Prediction
(
Poster
)
>
|
Peter Lee 路 Xingyi Cheng 路 Eric Xing 路 lee song 馃敆 |
-
|
CompassDock: A Comprehensive Accurate Assessment Approach for Deep Learning-Based Molecular Docking in Inference and Fine-Tuning
(
Poster
)
>
|
Ahmet Sarigun 路 Vedran Franke 路 Bora Uyar 路 Altuna Akalin 馃敆 |
-
|
BoostMD: Accelerating Molecular Sampling using ML Force Field Feature
(
Poster
)
>
|
Lars L Schaaf 路 Ilyes Batatia 路 Jules Tilly 路 Thomas Barrett 馃敆 |
-
|
DockFormer: Efficient Multi-Modal Receptor-Ligand Interaction Prediction using Pair Transformer
(
Poster
)
>
|
Ben Shor 路 Dina Schneidman 馃敆 |
-
|
Cryo-EM images are intrinsically low dimensional
(
Poster
)
>
|
Octavian-Vlad Murad 路 Luke Evans 路 Lars Dingeldein 路 Pilar Cossio 路 Roberto Covino 路 Marina Meila 馃敆 |
-
|
Open-source Tools for CryoET Particle Picking Machine Learning Competitions
(
Poster
)
>
|
Kyle Harrington 路 Zhuowen Zhao 路 Jonathan Schwartz 路 Saugat Kandel 路 Utz H. Ermel 路 Mohammadreza Paraan 路 Clinton Potter 路 Bridget Carragher 馃敆 |
-
|
AptaBLE: An Enhanced Deep Learning Platform for Aptamer Protein Interaction Prediction and Design
(
Poster
)
>
|
Sawan Patel 路 Sherwood Yao 路 Zhangzhi Peng 路 Keith Fraser 路 Pranam Chatterjee 路 Adam Friedman 路 Owen Yao 馃敆 |
-
|
Balancing Locality and Reconstruction in Protein Structure Tokenizer
(
Poster
)
>
|
Jiayou Zhang 路 Barth茅l茅my Meynard 路 Jing Gong 路 Xingyi Cheng 路 Eric Xing 路 Le Song 馃敆 |
-
|
What has AlphaFold3 learned about antibody and nanobody docking, and what remains unsolved?
(
Poster
)
>
|
Fatima Hitawala 路 Jeffrey Gray 馃敆 |
-
|
MolMix: A Simple Yet Effective Baseline for Multimodal Molecular Representation Learning
(
Poster
)
>
|
Andrei-Marian Manolache 路 Dragos-Constantin Tantaru 路 Mathias Niepert 馃敆 |
-
|
Integrating Macromolecular X-ray Diffraction Data with Variational Inference
(
Poster
)
>
|
Luis Aldama 路 Kevin Dalton 路 Doeke Hekstra 馃敆 |
-
|
Fine-Tuning Discrete Diffusion Models via Reward Optimization: Applications to DNA and Protein Design
(
Poster
)
>
|
Chenyu Wang 路 Masatoshi Uehara 路 Yichun He 路 Amy Wang 路 Tommaso Biancalani 路 Avantika Lal 路 Tommi Jaakkola 路 Sergey Levine 路 Hanchen Wang 路 Aviv Regev 馃敆 |
-
|
Low-N OpenFold fine-tuning improves peptide design without additional structures
(
Poster
)
>
|
Theo Sternlieb 路 Jakub Otwinowski 路 Sam Sinai 路 Jeffrey Chan 馃敆 |
-
|
SPRINT Enables Interpretable and Ultra-Fast Virtual Screening against Thousands of Proteomes ( Poster ) > link | Andrew McNutt 路 Abhinav Adduri 路 Caleb Ellington 路 Monica Dayao 路 Eric Xing 路 Hosein Mohimani 路 David Koes 馃敆 |
-
|
Ranking protein binding affinities with protein language models
(
Poster
)
>
|
Charles Charbel CHALAS 路 Michael P Dunne 路 Michael Dunne 路 charles chalas 馃敆 |
-
|
Generating and scoring stable proteins using joint structure and sequence modeling
(
Poster
)
>
|
Yehlin Cho 路 Justas Dauparas 路 Kotaro Tsuboyama 路 Gabriel Rocklin 路 Sergey Ovchinnikov 馃敆 |
-
|
FusOn-pLM: A Fusion Oncoprotein-Specific Language Model via Focused Probabilistic Masking
(
Poster
)
>
|
Sophia Vincoff 路 Shrey Goel 路 Kseniia Kholina 路 Rishab Pulugurta 路 Pranay Vure 路 Pranam Chatterjee 馃敆 |
-
|
Systems-Structure-Based Drug Design
(
Poster
)
>
|
Vincent Zaballa 路 Elliot Hui 馃敆 |
-
|
Learning the language of protein-protein interactions with ESM-Multimer
(
Poster
)
>
|
Varun Ullanat 路 Bowen Jing 路 Samuel Sledzieski 路 Dr. Bonnie Berger 馃敆 |
-
|
Guided Multi-objective Generative AI for Structure-based Drug Design
(
Poster
)
>
|
Amit Kadan 路 Kevin Ryczko 路 Erika Lloyd 路 Adrian Roitberg 路 Takeshi Yamazaki 馃敆 |
-
|
Tradeoffs of alignment-based and protein language models for predicting viral mutation effects
(
Poster
)
>
|
Noor Youssef 路 Sarah Gurev 路 Debora Marks 馃敆 |
-
|
IgFlow: Flow Matching for De Novo Antibody Design
(
Poster
)
>
|
Sanjay Nagaraj 路 Amir Shanehsazzadeh 路 Hyun Park 路 Jonathan King 路 Simon Levine-Gottreich 馃敆 |
-
|
Generating and evaluating diverse sequences for protein backbones
(
Poster
)
>
|
Yo Akiyama 路 Sergey Ovchinnikov 馃敆 |
-
|
SuperMetal: A Generative AI Framework for Rapid and Precise Metal Ion Location Prediction in Proteins
(
Poster
)
>
|
Xiaobo Lin 路 Zhaoqian Su 路 Yunchao Liu 路 Jingxian Liu 路 Xiaohan Kuang 路 Jesse Spencer-Smith 馃敆 |
-
|
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design
(
Poster
)
>
|
11 presentersNata拧a Tagasovska 路 Ji Won Park 路 Matthieu Kirchmeyer 路 Nathan Frey 路 Andrew Watkins 路 Aya Ismail 路 Arian Jamasb 路 Edith Lee 路 Tyler Bryson 路 Stephen Ra 路 Kyunghyun Cho |
-
|
Loop-Diffusion: an equivariant diffusion model for designing and scoring protein loops
(
Poster
)
>
|
Kevin Borisiak 路 Gian Marco Visani 路 Armita Nourmohammad 馃敆 |
-
|
ProteinZen: combining latent and SE(3) flow matching for all-atom protein generation
(
Poster
)
>
|
Alex Li 路 Tanja Kortemme 馃敆 |
-
|
TomoPicker: Annotation-Efficient Particle Picking in Cellular cryo-electron Tomograms
(
Poster
)
>
|
Mostofa Rafid Uddin 路 Ajmain Yasar Ahmed 路 Toki Tahmid 路 Alam 路 Min Xu 馃敆 |
-
|
Exploring Categorical Flow Matching for 3D De Novo Molecule Generation
(
Poster
)
>
|
Ian Dunn 路 David Koes 馃敆 |
-
|
SynFlowNet: Towards Molecule Design with Guaranteed Synthesis Pathways
(
Poster
)
>
|
Miruna Cretu 路 Charles Harris 路 Ilia Igashov 路 Arne Schneuing 路 Marwin Segler 路 Bruno Correia 路 Julien Roy 路 Emmanuel Bengio 路 Pietro Li贸 馃敆 |
-
|
RNA-DCGen: Dual Constrained RNA Sequence Generation with LLM-Attack
(
Poster
)
>
|
Haz Sameen Shahgir 路 Md. Rownok Zahan Ratul 路 Toki Tahmid 路 Khondker Salman Sayeed 路 Atif Rahman 馃敆 |
-
|
RNA-GPT: Multimodal Generative System for RNA Sequence Understanding
(
Poster
)
>
|
Yijia Xiao 路 Edward Sun 路 Yiqiao Jin 路 Wei Wang 馃敆 |
-
|
Capturing Protein Dynamics: Encoding Temporal and Spatial Dynamics from Molecular Dynamics Simulations
(
Poster
)
>
|
Vignesh Bhethanabotla 路 Amin Tavakoli 路 Anima Anandkumar 路 William Goddard 馃敆 |
-
|
ProPicker: Promptable Segmentation for Particle Picking in Cryogenic Electron Tomography
(
Poster
)
>
|
Simon Wiedemann 路 Zalan Fabian 路 Mahdi Soltanolkotabi 路 Reinhard Heckel 馃敆 |
-
|
Estimating protein flexibility via uncertainty quantification of structure prediction models
(
Poster
)
>
|
Charlotte Sweeney 路 Nele Quast 路 Fabian Spoendlin 路 Yee Whye Teh 馃敆 |
-
|
Energy-Based Flow Matching for Molecular Docking
(
Poster
)
>
|
Wenyin Zhou 路 Christopher Sprague 路 Hossein Azizpour 馃敆 |
-
|
Controlling multi-state conformational equilibria of dynamic proteins with Frame2seq
(
Poster
)
>
|
Deniz Akpinaroglu 路 Dominic Grisingher 路 Stephanie Crilly 路 Tanja Kortemme 馃敆 |
-
|
FlowPacker: protein side-chain packing with torsional flow matching
(
Poster
)
>
|
Jin Sub Lee 路 Philip Kim 馃敆 |
-
|
Improving Ab-Initio Cryo-EM Reconstruction with Semi-Amortized Pose Inference ( Poster ) > link | Shayan Shekarforoush 路 David Lindell 路 Marcus Brubaker 路 David Fleet 馃敆 |
-
|
The OMG dataset: An Open MetaGenomic corpus for mixed-modality genomic language modeling
(
Poster
)
>
|
Yunha Hwang 路 Andre Cornman 路 Jacob West-Roberts 路 Martin Beracochea 路 Sergey Ovchinnikov 路 Simon Roux 路 Antonio Camargo 路 Milot Mirdita 馃敆 |
-
|
Protein Language Model Fitness is a Matter of Preference
(
Poster
)
>
|
Cade Gordon 路 Amy Lu 路 Pieter Abbeel 馃敆 |
-
|
HelixFlow, SE(3)鈥揺quivariant Full-atom Design of Peptides With Flow-matching Models
(
Poster
)
>
|
Xuezhi Xie 路 Pedro A Valiente 路 Jisun Kim 路 Jin Sub Lee 路 Philip Kim 馃敆 |
-
|
Controllable All-Atom Generation of Protein Sequence and Structure from Sequence-Only Inputs
(
Poster
)
>
|
Amy Lu 路 Wilson Yan 路 Kevin Yang 路 Vladimir Gligorijevic 路 Kyunghyun Cho 路 Richard Bonneau 路 Pieter Abbeel 路 Nathan Frey 馃敆 |
-
|
Generative modeling of protein ensembles guided by crystallographic electron densities
(
Poster
)
>
|
Sai Advaith Maddipatla 路 Nadav Sellam 路 Sanketh Vedula 路 Ailie Marx 路 Alex Bronstein 馃敆 |