Disconnection Aware Steering of Retrosynthesis Transformer to Facilitate Materials Design
- Amol Thakkar
- Andrea Antonia Byekwaso
- et al.
- 2022
- MRS Fall Meeting 2022
Talk
Publications
26915 results for Science
A Data-driven Discovery Pipeline for Flue Gas Separation Homopolymer Membranes
- Hsianghan Hsu
- Matteo Manica
- et al.
- 2022
- MRS Fall Meeting 2022
TalkIntegrated biosensor platform based on graphene transistor arrays for real-time high-accuracy ion sensing
- Mantian Xue
- Charles Mackin
- et al.
- 2022
- MRS Fall Meeting 2022
TalkReducing Down(stream)time: Pretraining Molecular GNNs using Heterogeneous AI Accelerators
- Jenna Bilbrey
- Kristina Herman
- 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 paperRetrosynthesis Prediction Revisited
- Hongyu Tu
- Shantam Shorewala
- et al.
- 2022
- NeurIPS 2022
Workshop paperDirect Sampling for extreme weather generation
- Jorge Luis Guevara Diaz
- Bianca Zadrozny
- et al.
- 2022
- NeurIPS 2022
Workshop paperPhysics-Constrained Deep Learning for Climate Downscaling
- Paula Harder
- Qidong Yang
- et al.
- 2022
- NeurIPS 2022
Workshop paperGenerating physically-consistent high-resolution climate data with hard-constrained neural networks
- Paula Harder
- Qidong Yang
- et al.
- 2022
- NeurIPS 2022
Workshop paperFuzzy Logic for Biological Networks as ML Regression: Scaling to Single-Cell Datasets With Autograd
- Constance Le Gac
- Alice Driessen
- et al.
- 2022
- NeurIPS 2022
Workshop paper