ICML 2024 Workshop ML4LMS Submissions

DualBind: A Dual-Loss Framework for Protein-Ligand Binding Affinity Prediction
Meng Liu, Saee Gopal Paliwal
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Score-Based Generative Models For Binding Peptide Backbones
ICML 2024 Workshop ML4LMS
- Published: 17 Jun 2024, Last Modified: 22 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Mirror, Mirror on the Wall: Automating Dental Smile Analysis in Smart Mirrors with CNN and Diffusion Model
ICML 2024 Workshop ML4LMS
- Published: 17 Jun 2024, Last Modified: 24 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Protein Language Models in Directed Evolution
Russell Maguire, Kotryna Bloznelyte, Fikayo Adepoju, Matthew Armean-Jones, Shafiat Dewan, Akash Gupta, Frances Patricia Jones, Preet Lalli, Anna Schooneveld, Sean Thompson, Ece Ebrahimi, Stella Fozzard, David Berman, Luca Rossoni, Will Addison, Ian Taylor
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Finding Structure-Property Relationships for Molecular Property Predictions with Globally Explainable AI
Jonas Teufel, Pascal Friederich
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
FlowBack: A Flow-matching Approach for Generative Backmapping of Macromolecules
Michael Jones, Smayan Khanna, Andrew Ferguson
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Oral
- Readers: Everyone
Detecting critical treatment effect bias in small subgroups
Piersilvio De Bartolomeis, Javier Abad, Konstantin Donhauser, Fanny Yang
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Improving Route Development Using Convergent Retrosynthesis Planning
Paula Torren-Peraire, Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Machine learning nominal max oxygen consumption from wearable reflective pulse oximetry with density functional theory
Saleem Abdul Fattah Ahmed Al Dajani, Frédéric Laquai
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Constructing artificial life and materials scientists with accelerated AI using Deep AndersoNN
Saleem Abdul Fattah Ahmed Al Dajani, David Keyes
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Closed-Form Test Functions for Biophysical Sequence Optimization Algorithms
Samuel Don Stanton, Robert G Alberstein, Nathan C. Frey, Andrew Martin Watkins, Kyunghyun Cho
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
RamanSPy: Augmenting Raman Spectroscopy Data Analysis with AI
Dimitar Georgiev, Simon Vilms Pedersen, Ruoxiao Xie, Álvaro Fernández-Galiana, Molly M. Stevens, Mauricio Barahona
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Hyperspectral Unmixing for Raman Spectroscopy via Physics-Constrained Autoencoders
Dimitar Georgiev, Álvaro Fernández-Galiana, Simon Vilms Pedersen, Georgios Papadopoulos, Ruoxiao Xie, Molly M. Stevens, Mauricio Barahona
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
AbFlex: Predicting the conformational flexibility of antibody CDRs
Fabian C Spoendlin, Wing Ki Wong, Guy Georges, Alexander Bujotzek, Charlotte Deane
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Chemical Language Modeling with Structured State Spaces
Rıza Özçelik, Sarah de Ruiter, Emanuele Criscuolo, Francesca Grisoni
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Robustness of Explainable Artificial Intelligence in Industrial Process Modelling
Benedikt Kantz, Clemens Staudinger, Christoph Feilmayr, Johannes Wachlmayr, Alexander Haberl, Stefan Schuster, Franz Pernkopf
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
Towards Linking Graph Topology to Model Performance for Biomedical Knowledge Graph Completion
Alberto Cattaneo, Thomas Martynec, Stephen Bonner, Carlo Luschi, Daniel Justus
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone
EvoSBDD: Latent Evolution for Accurate and Efficient Structure-Based Drug Design
Danny Reidenbach
- Published: 17 Jun 2024, Last Modified: 16 Jul 2024
- ML4LMS Poster
- Readers: Everyone