Publications

1450 results for Machine Learning

Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Carlo Baldassari
  - Jannis Born
  - et al.
- 2023
- ACS Spring 2023
Enzyme optimization via a generative language modeling-based evolutionary algorithm
- - Yves Gaetan Nana Teukam
  - Francesca Grisoni
  - et al.
- 2023
- ACS Spring 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- - Dimitrios Christofidellis
  - Giorgio Giannone
  - et al.
- 2023
- ACS Spring 2023
Standardization of chemical compounds using language modeling
- - Miruna Cretu
  - Alessandra Toniato
  - et al.
- 2023
- ACS Spring 2023
NeuTE - Neural Template Extraction
- - Amol Thakkar
  - Teodoro Laino
- 2023
- ACS Spring 2023
Data-Driven Reaction Template Fingerprints
- - Anubhab Chakraborty
  - Amol Thakkar
  - et al.
- 2023
- ACS Spring 2023
Development of Ensemble Models for the Growth of Colloidal Spin-on-Glass Materials
- - Tim Erdmann
- 2023
- APS March Meeting 2023
Parallel and Distributed Asynchronous Adaptive Stochastic Gradient Methods
- - Yangyang Xu
  - Yibo Xu
  - et al.
- 2023
- Mathematical Programming Computation
Improved and optimized drug repurposing for the SARS-CoV-2 pandemic
- - Sarel Cohen
  - Moshik Hershcovitch
  - et al.
- 2023
- PLoS ONE
Modern Hopfield Networks in AI and Neurobiology
- - Dmitry Krotov
- 2023
- APS March Meeting 2023