Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2024
- ACS Fall 2024
Talk
Publications
797 results for Life Sciences
Analysis of docking for binding affinity prediction
- Raúl Fernández Díaz
- Denis Shields
- et al.
- 2024
- ACS Fall 2024
PosterEffect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- 2024
- ACS Fall 2024
PosterAI-Driven Autonomous Microrobots for Targeted Medicine
- Mahmoud Medany
- Karthik Mukkavilli
- et al.
- 2024
- Nat Rev Bioeng
ReviewSPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery
- Bc Kwon
- Simona Rabinovici-Cohen
- et al.
- 2024
- IJCAI 2024
Demo paperAdvancing biomolecular simulation through exascale HPC, AI and quantum computing
- Edward O. Pyzer-Knapp
- Alessandro Curioni
- 2024
- Current Opinion in Structural Biology
ReviewQuantum Theory and Application of Contextual Optimal Transport
- Nicola Mariella
- Albert Akhriev
- et al.
- 2024
- ICML 2024
Conference paperMixed selectivity: Cellular computations for complexity
- Kay M. Tye
- Earl K. Miller
- et al.
- 2024
- Neuron
ReviewEpidemiological topology data analysis links severe COVID-19 to RAAS and hyperlipidemia associated metabolic syndrome conditions
- Dan Platt
- Aritra Bose
- et al.
- 2024
- ISMB 2024
Conference paperOptimizing CAR T cell design using quantum convolutional neural networks
- 2024
- ISMB 2024
Talk