Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. 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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Year

72 results for Accelerated Discovery

Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- - Yue Cao
  - Payel Das
  - et al.
- 2021
- ICML 2021
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- - Vijil Chenthamarakshan
  - Payel Das
  - et al.
- 2020
- NeurIPS 2020
Learn more about our Accelerated Discovery work
Topic
Foundation Model for Material Science
- - Seiji Takeda
  - Akihiro Kishimoto
  - et al.
- 2023
- AAAI 2023
Bridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- - Daniel Probst
  - Anastasia Sveshnikova
  - et al.
- 2022
- ACS Fall 2022
Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- - Alain Vaucher
  - Fiona Shortt de Hernandez
  - et al.
- 2022
- ACS Fall 2022
Deep learning assisted Suzuki cross coupling catalyst design
- - Oliver Schilter
  - Federico Zipoli
  - et al.
- 2022
- ACS Fall 2022
Augmented disconnection aware retrosynthesis to facilitate user interaction
- - Amol Thakkar
  - Andrea Antonia Byekwaso
  - et al.
- 2022
- ACS Fall 2022
Fast, Transparent, and High-Fidelity Memoization Cache-Keys for Computational Workflows
- - Vassilis Vassiliadis
  - Michael A. Johnston
  - et al.
- 2022
- SCC 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- - Andrea Antonia Byekwaso
  - Alain Vaucher
  - et al.
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- - Loic Kwate Dassi
  - Matteo Manica
  - et al.
- 2022
- ACS Spring 2022