Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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24 results for Joseph Morrone

Combining physics-based modeling and graph neural networks for drug discovery
- - Joseph Morrone
- 2022
- ACS Fall 2022
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2024
- ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- - Joseph Morrone
  - Diwakar Mahajan
  - et al.
- 2024
- ACS Fall 2024
Topology-driven pre-training for robust molecular property prediction models
- - Aldo Guzmán-Sáenz
  - Sanjoy Dey
  - et al.
- 2023
- ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI models
- - Joseph Morrone
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Blind protein structure prediction using accelerated free-energy simulations
- - Alberto Perez
  - Joseph A. Morrone
  - et al.
- 2016
- Science Advances
Optimizing CAR T cell design using quantum convolutional neural networks
- - Sara Capponi
  - Kahn Rhrissorrakrai
  - et al.
- 2024
- ISMB 2024
SPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery
- - Bc Kwon
  - Simona Rabinovici-Cohen
  - et al.
- 2024
- IJCAI 2024
Towards quantum-enabled cell-centric therapeutics
- - Saugata Basu
  - Jannis Born
  - et al.
- 2023
- arXiv