POCSTagger: Identifying part-of-chemical-speech with transformers
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021
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
AI assisted design and synthesis of materials with targeted properties
- Victoria Piunova
- Dmitry Zubarev
- et al.
- 2021
- ACS Fall 2021
Automated in silico screening of nanoporous materials for enhanced CO2 capture
- 2021
- MRS Spring Meeting 2021
Learning from literature-extracted synthesis actions for organic synthesis
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2021
- ACS Spring 2021
Simulating fluid flow with carbon dioxide in digital rock
- Mathias Steiner
- Rodrigo Ferreira
- et al.
- 2021
- APS March Meeting 2021
Small Data Enabled Prediction and Verification of Potential Polymer Membranes for CO2 Separation
- Hsianghan Hsu
- Ronaldo Giro
- et al.
- 2021
- APS March Meeting 2021
Automated in silico optimisation of nanoporous material morphology for enhanced carbon dioxide adsorption
- Rodrigo Ferreira
- Fausto Martelli
- et al.
- 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
Platform for Polymer Inverse-Design by Graph Generative Algorithms
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- MRS Fall Meeting 2020
Chemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2020
- ACS Fall 2020