Publications

3493 results for Materials Discovery

Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design
- - Yue Cao
  - Payel Das
  - et al.
- 2021
- ICML 2021
Reinforcement Learning with Logical Action-Aware Features for Polymer Discovery
- - Sarathkrishna Swaminathan
  - Dmitry Zubarev
  - et al.
- 2021
- ICML 2021
Monitoring Solid-Phase Reactions in Self-Assembled Monolayers by Surface-Enhanced Raman Spectroscopy
- - Dominik Scherrer
  - David Vogel
  - et al.
- 2021
- Angewandte Chemie - International Edition
High accuracy capillary network representation in digital rock reveals permeability scaling functions
- - Rodrigo F. Neumann
  - Mariane Barsi-Andreeta
  - et al.
- 2021
- Scientific Reports
Inferring experimental procedures from text-based representations of chemical reactions
- - Alain C. Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- Nature Communications
Automated in silico screening of nanoporous materials for enhanced CO2 capture
- - Rodrigo Neumann
  - Fausto Martelli
  - et al.
- 2021
- MRS Spring Meeting 2021
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- - Philippe Schwaller
  - Benjamin Hoover
  - et al.
- 2021
- Science Advances
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- - Philippe Schwaller
  - Benjamin Hoover
  - et al.
- 2021
- ACS Spring 2021
Learning from literature-extracted synthesis actions for organic synthesis
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- ACS Spring 2021
Prediction of chemical reaction yields using deep learning
- - Philippe Schwaller
  - Alain C. Vaucher
  - et al.
- 2021
- Machine Learning: Science and Tech.