Data augmentation strategies to improve reaction yield predictions and estimate uncertainty
- Philippe Schwaller
- Alain Vaucher
- et al.
- 2020
- NeurIPS 2020
Publications
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414 results for Accelerated Discovery
PaccMannRL on SARS-CoV-2: Designing antiviral candidates with conditional generative models
- Jannis Born
- Matteo Manica
- et al.
- 2020
- ICML 2020
NLPeople at TextGraphs-17 Shared Task: Chain of Thought Questioning to Elicit Decompositional Reasoning
- 2024
- ACL 2024
Masking in Molecular Graphs Leveraging Reaction Context
- Jiannan Yang
- Veronika Thost
- et al.
- 2024
- ICML 2024
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- 2024
- ICML 2024
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
- 2024
- ICML 2024
An exploratory analysis of the associations between accelerometer-derived measures and future health-related changes in older adults: preliminary results on prospective cohort study
- Miyuki Nemoto
- Yasunori Yamada
- et al.
- 2024
- ICDH 2024
Empowering Sustainable Finance: Leveraging Large Language Models for Climate-Aware Investments
- 2024
- ICLR 2024
Building Sustainable Futures: Tutorial on Carbon Footprint Analysis and Mitigation Strategies Using Counter Factual Queries
- Kumar Saurav
- Manikandan Padmanaban
- et al.
- 2024
- ICLR 2024
Learning Drug Perturbations via Conditional Map Estimators
- Benedek Harsanyi
- Marianna Rapsomaniki
- et al.
- 2024
- ICLR 2024