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.
11 results for Accelerated Discovery
Fast, Transparent, and High-Fidelity Memoization Cache-Keys for Computational Workflows
- 2022
- SCC 2022
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- 2021
- ACS Spring 2021
Learning from literature-extracted synthesis actions for organic synthesis
- 2021
- ACS Spring 2021
Chemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- 2020
- ACS Fall 2020
Reaction Transformers for Fingerprints, Classification and Atom-Mapping
- 2020
- ACS Fall 2020
Characterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics
- 2020
- NeurIPS 2020
PaccMannRL on SARS-CoV-2: Designing antiviral candidates with conditional generative models
- 2020
- ICML 2020
Software Services Engineering Manifesto – A Cross-Cutting Declaration
- 2021
- ICWS 2021
Towards an Approximation-Aware Computational Workflow Framework for Accelerating Large-Scale Discovery Tasks
- 2022
- PODC 2022