Realizing a composable enterprise microservices fabric with ai-accelerated material discovery api services
- Rong Chang
- Kumar Bhaskaran
- et al.
- 2020
- CLOUD 2020
Publications
3493 results for Materials Discovery
A model for the simulation of the CnEm nonionic surfactant family derived from recent experimental results
- Michael Johnston
- Andrew Ian Duff
- et al.
- 2020
- Journal of Physical Chemistry B
Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
- Giorgio Pesciullesi
- Philippe Schwaller
- et al.
- 2020
- Nature Communications
Molecular Inverse-Design Platform for Material Industries
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- KDD 2020
Reaction Transformers for Fingerprints, Classification and Atom-Mapping
- Philippe Schwaller
- Daniel Probst
- et al.
- 2020
- ACS Fall 2020
Chemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2020
- ACS Fall 2020
What can digitisation do for formulated product innovation and development?
- James L McDonagh
- William C. Swope
- et al.
- 2020
- Polymer International
Automated extraction of chemical synthesis actions from experimental procedures
- Alain C. Vaucher
- Federico Zipoli
- et al.
- 2020
- Nature Communications
Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks
- Clyde Fare
- Lukas Turcani
- et al.
- 2020
- Physical Chemistry Chemical Physics
CP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations
- Thomas D. Kühne
- Marcella Iannuzzi
- et al.
- 2020
- Journal of Chemical Physics