Large-scale chemical language representations capture molecular structure and properties
- Jerret Ross
- Brian Belgodere
- et al.
- 2022
- Nature Machine Intelligence
Paper
Publications
656 results for Generative AI
Toward Human-AI Co-creation to Accelerate Material Discovery
- Dmitry Zubarev
- Carlos Raoni De Alencar Mendes
- et al.
- 2022
- NeurIPS 2022
Workshop paperEnzeptional—Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- Yves Gaetan Nana Teukam
- Matteo Manica
- et al.
- 2022
- MRS Fall Meeting 2022
TalkAccelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
TalkControllable Generation for Climate Modeling
- Moulik Choraria
- Daniela Szwarcman
- et al.
- 2022
- NeurIPS 2022
Workshop paperAn Empirical Evaluation of Zeroth-Order Optimization Methods on AI-driven Molecule Optimization
- Elvin Lo
- Pin-Yu Chen
- 2022
- NeurIPS 2022
Workshop paperKnowledge for the era of accelerated discovery
- 2022
- EKAW 2022
KeynoteThe Devil is in the GAN: Backdoor Attacks and Defenses in Deep Generative Models
- Ambrish Rawat
- Killian Levacher
- et al.
- 2022
- ESORICS 2022
PosterAccelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Conference paperRegression transformer: Concurrent property prediction and conditional molecular generation
- 2022
- ACS Fall 2022
Conference paper