Publications

1615 results for Machine Learning

MDLab: AI frameworks for Carbon Capture and Battery Materials
- - Bruce Elmegreen
  - Hendrik Hamann
  - et al.
- 2023
- ICR 2023
Poster
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- - Alain Vaucher
  - Matteo Manica
  - et al.
- 2023
- ACS Spring 2023
Invited talk
NeuTE - Neural Template Extraction
- - Amol Thakkar
  - Teodoro Laino
- 2023
- ACS Spring 2023
Talk
Enzyme optimization via a generative language modeling-based evolutionary algorithm
- - Yves Gaetan Nana Teukam
  - Francesca Grisoni
  - et al.
- 2023
- ACS Spring 2023
Talk
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Carlo Baldassari
  - Jannis Born
  - et al.
- 2023
- ACS Spring 2023
Talk
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- - Dimitrios Christofidellis
  - Giorgio Giannone
  - et al.
- 2023
- ACS Spring 2023
Talk
Data-Driven Reaction Template Fingerprints
- - Anubhab Chakraborty
  - Amol Thakkar
  - et al.
- 2023
- ACS Spring 2023
Talk
Standardization of chemical compounds using language modeling
- - Miruna Cretu
  - Alessandra Toniato
  - et al.
- 2023
- ACS Spring 2023
Talk
Development of Ensemble Models for the Growth of Colloidal Spin-on-Glass Materials
- - Tim Erdmann
- 2023
- APS March Meeting 2023
Talk
Parallel and Distributed Asynchronous Adaptive Stochastic Gradient Methods
- - Yangyang Xu
  - Yibo Xu
  - et al.
- 2023
- Mathematical Programming Computation
Paper