GP-MOLFORMER-SIM: Test Time Molecular Optimization through Contextual Similarity Guidance
- Jiri Navratil
- Jerret Ross
- et al.
- 2026
- AAAI 2026
Conference paper
Publications
22 results for Samuel Hoffman
GP-MoLFormer: a foundation model for molecular generation
- Jerret Ross
- Brian Belgodere
- et al.
- 2025
- Digital Discovery
PaperLearning to Optimize Molecules with a Chemical Language Model
- Jerret Ross
- Samuel Hoffman
- et al.
- 2024
- NeurIPS 2024
Workshop paperAccelerating drug target inhibitor discovery with a deep generative foundation model
- Vijil Chenthamarakshan
- Samuel C. Hoffman
- et al.
- 2023
- Science Advances
PaperAccelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
PaperAccelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- 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
- ACS Fall 2022
Conference paperAn Empirical Study of Modular Bias Mitigators and Ensembles
- Michael Feffer
- Martin Hirzel
- et al.
- 2022
- ICML 2022
Workshop paperAI Explainability 360: Impact and Design
- Vijay Arya
- Rachel K. E. Bellamy
- et al.
- 2022
- IAAI 2022
Conference paperAugmenting Molecular Deep Generative Models with Topological Data Analysis Representations
- Yair Schiff
- Vijil Chenthamarakshan
- et al.
- 2022
- ICASSP 2022
Conference paper