Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
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.
Date
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386 results for Generative AI
Enzeptional—Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- 2022
- MRS Fall Meeting 2022
Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery
- Seung Gu Kang
- 2022
- ACS Fall 2022
CASTELO — a combined machine learning and molecular modeling for drug discovery and protein-protein interaction optimization
- 2022
- ACS Fall 2022
Regression Transformer - Blending Numerical and Textual Tokens for Concurrent Property Predicition and Conditional Generation
- 2022
- MRS Spring Meeting 2022
AI assisted design and synthesis of materials with targeted properties
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2021
- ACS Fall 2021
Topology-Driven Completion of Chemical Data
- Dmitry Zubarev
- Petar Ristoski
- 2021
- APS March Meeting 2021
Automatic Cyclometalated Iridium(III) Complex Design Using a Data-Driven Fragmentation Representation of Molecules
- Hsianghan Hsu
- Seiji Takeda
- et al.
- 2020
- MRS Fall Meeting 2020
Accessing Creativity and Institutional Knowledge of Polymer Chemists via Expert-in-the-Loop AI—Case of Acrylic Polymer Design
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2020
- MRS Fall Meeting 2020
Platform for Polymer Inverse-Design by Graph Generative Algorithms
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- MRS Fall Meeting 2020