Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- 2021
- ICML 2021
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.
56 results for Accelerated Discovery
CogMol: Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models
- 2020
- NeurIPS 2020
Bridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- 2022
- ACS Fall 2022
Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- 2022
- ACS Fall 2022
Deep learning assisted Suzuki cross coupling catalyst design
- 2022
- ACS Fall 2022
Augmented disconnection aware retrosynthesis to facilitate user interaction
- 2022
- ACS Fall 2022
Fast, Transparent, and High-Fidelity Memoization Cache-Keys for Computational Workflows
- 2022
- SCC 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- 2022
- ACS Spring 2022
Enhanced MPSM3 for Applications to Quantum Biological Simulations
- 2016
- SC 2016