Learning to Optimize Molecules with a Chemical Language Model
- Jerret Ross
- Samuel Hoffman
- et al.
- 2024
- NeurIPS 2024
Publications
20 results for Samuel Hoffman
Accelerating drug target inhibitor discovery with a deep generative foundation model
- Vijil Chenthamarakshan
- Samuel C. Hoffman
- et al.
- 2023
- Science Advances
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
An Empirical Study of Modular Bias Mitigators and Ensembles
- Michael Feffer
- Martin Hirzel
- et al.
- 2022
- ICML 2022
AI Explainability 360: Impact and Design
- 2022
- IAAI 2022
Augmenting Molecular Deep Generative Models with Topological Data Analysis Representations
- Yair Schiff
- Vijil Chenthamarakshan
- et al.
- 2022
- ICASSP 2022
Optimizing molecules using efficient queries from property evaluations
- Samuel C. Hoffman
- Vijil Chenthamarakshan
- et al.
- 2021
- Nature Machine Intelligence
Sample-efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model
- Samuel Hoffman
- Vijil Vijil
- et al.
- 2021
- NeurIPS 2021