Realizing a composable enterprise microservices fabric with ai-accelerated material discovery api services
- Rong Chang
- Kumar Bhaskaran
- et al.
- 2020
- CLOUD 2020
Conference paper
Publications
3553 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
PaperTransfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
- Giorgio Pesciullesi
- Philippe Schwaller
- et al.
- 2020
- Nature Communications
PaperMolecular Inverse-Design Platform for Material Industries
- Seiji Takeda
- Toshiyuki Hama
- et al.
- 2020
- KDD 2020
Conference paperChemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2020
- ACS Fall 2020
TalkReaction Transformers for Fingerprints, Classification and Atom-Mapping
- Philippe Schwaller
- Daniel Probst
- et al.
- 2020
- ACS Fall 2020
TalkWhat can digitisation do for formulated product innovation and development?
- James L McDonagh
- William C. Swope
- et al.
- 2020
- Polymer International
PaperAutomated extraction of chemical synthesis actions from experimental procedures
- Alain C. Vaucher
- Federico Zipoli
- et al.
- 2020
- Nature Communications
PaperPowerful, transferable representations for molecules through intelligent task selection in deep multitask networks
- Clyde Fare
- Lukas Turcani
- et al.
- 2020
- Physical Chemistry Chemical Physics
PaperCP2K: 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
Review