ICLR 2024 Workshop GEM Submissions

PPI-Llama2: De Novo Generation of Binding Proteins Conditioned On Target Sequence Alone
Yinuo Zhang, Phil He, Ashley Hsu, Sophia Vincoff, Pranam Chatterjee
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Fine-tuning Pocket-conditioned 3D Molecule Generation via Reinforcement Learning
Daeseok Lee, Yongjun Cho
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
AceGen: A TorchRL-based toolkit for reinforcement learning in generative chemistry
Albert Bou, Morgan Thomas, Sebastian Dittert, Carles Navarro Ramírez, Maciej Majewski, Ye Wang, Shivam Patel, Gary Tresadern, Mazen Ahmad, Vincent Moens, Woody Sherman, simone sciabola, Gianni De Fabritiis
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Equivariant amortized inference of poses for cryo-EM
Larissa de Ruijter, Gabriele Cesa
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Low N, High N Protein Engineering
G J Abrahams, Carlos Outeiral, Harrison Steel, Charlotte Deane
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Diffusion Generative Models for Molecule Optimization
Xiaochuan Zha, xinyangao, Wenxue Hui, Zonghua Luo
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Antibody sequence optimization with gradient-guided discrete walk-jump sampling
Zarif Ikram, Dianbo Liu, M Saifur Rahman
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Demystify the Secret Function in Protein Sequence via Conditional Diffusion Models
Yaoyao Xu, Xuxi Chen, Tong Wang, Huan He, Tianlong Chen, Manolis Kellis
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Diverse Hits in de Novo Molecule Design: A Diversity-based Comparison of Goal-directed Generators
Philipp Renz, Sohvi Luukkonen, Günter Klambauer
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
A New Ultra-High-Throughput Assay for Measuring Protein Fitness
Vikram Sundar, Boqiang Tu, Lindsey Guan, Kevin M. Esvelt
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Oral
- Readers: Everyone
Unveiling the Entangled Landscape of Artificial Knotted Proteins
Eva Klimentová, Petr Simecek
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Machine learning of force fields towards molecular dynamics simulations of proteins at DFT accuracy
Christoph Brunken, Sebastien Boyer, Mustafa Omar, Bakary N'tji Diallo, Karim Beguir, Nicolas Lopez Carranza, Oliver Bent
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
A proteome-scale masked language model for fast protein-protein interaction prediction
Cyril Malbranke, Anne-Florence Bitbol
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Accelerating the Generation of Molecular Conformations with Progressive Distillation of Equivariant Latent Diffusion Models
Romain Lacombe, Neal Vaidya
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
COMPUTATIONAL DESIGN OF NOVEL AMPAR AND NMDAR PEPTIDE MODULATORS.
Khondamir Rustamov, Kamila Nebesnaya, Artyom Y. Baev
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
EvoSBDD: Latent Evolution for Accurate and Efficient Structure-Based Drug Design
Danny Reidenbach
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
CLIPZyme: Reaction-Conditioned Virtual Screening of Enzymes
Peter Mikhael, Itamar Chinn, Regina Barzilay
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Oral
- Readers: Everyone
Graph-Based Forward Synthesis Prediction of Biocatalyzed Reactions
Peter Mikhael, Itamar Chinn, Regina Barzilay
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
The Protein Engineering Tournament: An Open Science Benchmark for Protein Modeling and Design
Chase Armer, Henning Redestig, Erika DeBenedictis, Hassan Kané, Dana Cortade, Peter J Kelly, Adil Yusuf, TJ Brunette
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Oral
- Readers: Everyone
Multi-objective generative AI for designing novel brain-targeting small molecules
Ayush Noori, Iñaki Arango, William E. Byrd, Nada Amin
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
RNAFlow: RNA Structure & Sequence Co-Design via Inverse Folding-Based Flow Matching
Divya Nori, Wengong Jin
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Generative Humanization for Therapeutic Antibodies
Cade W Gordon, Aniruddh Raghu, Peyton Greenside, Hunter Elliott
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Physics-informed geometric regularization of heterogeneous reconstructions in cryo-EM
Victor Prins, Willem Diepeveen, Erik J Bekkers, Ozan Öktem
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Programmable Protein Stabilization with Language Model-Derived Peptide Guides
Lauren Hong, Tianzheng Ye, Tian Zi Wang, Divya Srijay, Lin Zhao, Sophia Vincoff, Tianlai Chen, Matthew DeLisa, Pranam Chatterjee
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone
Evolution-Inspired Loss Functions for Protein Representation Learning
Chengyue Gong, Adam Klivans, James Madigan Loy, Tianlong Chen, qiang liu, Daniel Jesus Diaz
- Published: 04 Mar 2024, Last Modified: 29 Apr 2024
- GEM Poster
- Readers: Everyone