POCSTagger: Identifying part-of-chemical-speech with transformers
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021
Publications
3499 results for Materials Discovery
Accelerating the development of new polymeric materials: The convergance of automated experimentation, cloud computing, and predictive modeling
- Nathaniel Park
- Pedro Arrechea
- et al.
- 2021
- ACS Fall 2021
Large datasets for machine learning and reactor response curves for the ring opening polymerization of lactide
- Pedro Arrechea
- Nathaniel Park
- et al.
- 2021
- ACS Fall 2021
Inferring missing molecules in incomplete chemical equations
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021
Materials opportunities in a post Moore era
- Rudy Wojtecki
- 2021
- ACS Fall 2021
Low-data regime yield predictions with uncertainty estimation using deep learning approaches
- Philippe Schwaller
- Alain Vaucher
- et al.
- 2021
- ACS Fall 2021
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