Publications

632 results for Accelerated Discovery

Grand challenges on accelerating discovery in catalysis
- - Alessandra Toniato
  - Alain C. Vaucher
  - et al.
- 2022
- Catalysis Today
Paper
An ensemble of 3D U-Net based models for segmentation of kidney and masses in CT scans
- - Alex Golts
  - Daniel Khapun
  - et al.
- 2021
- MICCAI 2021
Workshop paper
Software Services Engineering Manifesto – A Cross-Cutting Declaration
- - Carl K. Chang
  - Paolo Ceravolo
  - et al.
- 2021
- ICWS 2021
Invited paper
POCSTagger: Identifying part-of-chemical-speech with transformers
- - Alessandra Toniato
  - Philippe Schwaller
  - et al.
- 2021
- ACS Fall 2021
Talk
On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2
- - Jannis Born
  - Matteo Manica
  - et al.
- 2021
- ACS Fall 2021
Talk
Low-data regime yield predictions with uncertainty estimation using deep learning approaches
- - Philippe Schwaller
  - Alain Vaucher
  - et al.
- 2021
- ACS Fall 2021
Talk
Inferring missing molecules in incomplete chemical equations
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- ACS Fall 2021
Talk
Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps
- - Edward Pyzer-Knapp
  - Linjiang Chen
  - et al.
- 2021
- Science Advances
Paper
Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- - Yue Cao
  - Payel Das
  - et al.
- 2021
- ICML 2021
Conference paper
Inferring experimental procedures from text-based representations of chemical reactions
- - Alain C. Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- Nature Communications
Paper