Hessian Reparametrization for Coarse-grained Energy Minimization
- Nima Dehmamy
- Csaba Both
- et al.
- 2024
- ICLR 2024
Publications
551 results for Accelerated Discovery
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- Federico Zipoli
- Carlo Baldassari
- et al.
- 2024
- npj Computational Materials
Vocal expression of emotions discriminates dementia with Lewy bodies from Alzheimer's disease
- 2024
- DADM
Simulating CO2 diffusivity in rigid and flexible Mg-MOF-74 with machine-learning force fields
- Bowen Zheng
- Grace Gu
- et al.
- 2024
- APL Mach. Learn.
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
Empowering Sustainable Finance: Leveraging Large Language Models for Climate-Aware Investments
- 2024
- ICLR 2024
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- Chemical Science
Probing omics data via harmonic persistent homology
- Davide Gurnari
- Aldo Guzmán-Sáenz
- et al.
- 2024
- RECOMB 2024
SciScribe: Automating & Contextualizing Literature Reviews in Cardiac Surgery
- Kasper Dinkla
- Peter Staar
- et al.
- 2024
- AATS Annual Meeting 2024