Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations
- 2024
- NeurIPS 2024
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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- Materials Discovery
3421 results for Materials Discovery
Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks
- 2024
- NeurIPS 2024
Cloud-based pore-scale simulator for studying carbon dioxide flow in digital rocks
- 2022
- GHGT 2022
As-Se-Ge-S and Ge-N Heterostructures for Superior OTS Performance
- Alexander Grun
- Zhi-Lun Liu
- et al.
- 2024
- IMW 2024
A new era of collaborative experimentation enabled by multi-cloud and AI foundation models
- Patrick Ruch
- Alain Vaucher
- et al.
- 2023
- Future Labs Live 2023
Extensive Attention Mechanisms in Graph Neural Networks for Materials Discovery
- Guojing Cong
- Talia Ben Naim
- et al.
- 2022
- ICDM 2022
Cloud-Based, High-Throughput, End-To-End Computational Screening of Solid Sorbent Materials for Carbon Capture
- Rodrigo Neumann Barros Ferreira
- Breanndan O'Conchuir
- et al.
- 2022
- GHGT 2022
Feature importance methods unveiling the cross-sensitive response of an integrated sensor array to quantify major cations in drinking water
- Gianmarco Gabrieli
- Michal Muszynski
- et al.
- 2022
- SENSORS 2022
ArF Excimer Laser Debridement of Burn Wounds Promotes Healing
- Michael C. Musillo
- Anders H. Carlsson
- et al.
- 2022
- FiO 2022
MOTION: A High speed, low cost, low energy chip scale optical module for co-packaging on a first-level organic substrate for HPC and Data Centers
- Daniel M. Kuchta
- Mounir Meghelli
- et al.
- 2022
- Networks 2022