GP-MOLFORMER-SIM: Test Time Molecular Optimization through Contextual Similarity Guidance
- Jiri Navratil
- Jerret Ross
- et al.
- 2026
- AAAI 2026
Publications
15 results for Vijil Vijil
Aligning Protein Conformation Ensemble Generation with Physical Feedback
- Jiarui Lu
- Xiaoyin Chen
- et al.
- 2025
- ICML 2025
Multi-Scale Representation Learning for Protein Fitness Prediction
- Zuobai Zhang
- Pascal Notin
- et al.
- 2024
- NeurIPS 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
- Lucy Vost
- Vijil Vijil
- et al.
- 2024
- NeurIPS 2024
Learning to Optimize Molecules with a Chemical Language Model
- Jerret Ross
- Samuel Hoffman
- et al.
- 2024
- NeurIPS 2024
Efficient Equivariant Transfer Learning from Pretrained Models
- Sourya Basu
- Pulkit Katdare
- et al.
- 2023
- NeurIPS 2023
AlphaFold Distillation for Protein Design
- Igor Melnyk
- Aurelie Lozano
- et al.
- 2023
- NeurIPS 2023
Characterizing pre-trained and task-adapted molecular representations
- Celia Cintas
- Payel Das
- et al.
- 2023
- NeurIPS 2023
Equi-Tuning: Group Equivariant Fine-Tuning of Pretrained Models
- Sourya Basu
- Prasanna Sattigeri
- et al.
- 2023
- AAAI 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022