Topology-driven pre-training for robust molecular property prediction models
- Aldo Guzmán-Sáenz
- Sanjoy Dey
- et al.
- 2023
- ACS Fall 2023
Talk
Publications
24850 results for Exploratory Science
Combining molecular simulation and AI for antibody design against cancer immunotherapy targets
- 2023
- ACS Fall 2023
TalkAI-directed discovery of high entropy electrolyte formulations for batteries using interhalogen cathodes and lithium metal anodes
- 2023
- ACS Fall 2023
TalkTool to isolate and identify impactful submolecular motifs – rBRICS
- 2023
- ACS Fall 2023
PosterUnveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function
- Seung Gu Kang
- Shaima Muhammednazaar
- et al.
- 2023
- ACS Fall 2023
PosterUnderstanding and improving zeroth-order optimization methods on AI-driven molecule optimization
- Elvin Lo
- Pin-Yu Chen
- 2023
- Digital Discovery
PaperHow to Bind Anonymous Credentials to Humans
- Julia Hesse
- Nitin Singh
- et al.
- 2023
- USENIX Security 2023
Conference paperStandardizing chemical compounds with language models
- Miruna T Cretu
- Alessandra Toniato
- et al.
- 2023
- Machine Learning: Science and Tech.
PaperDemonstration of the Nonlocal Josephson Effect in Andreev Molecules
- Daniel Z. Haxell
- Marco Coraiola
- et al.
- 2023
- Nano Letters
PaperGenerative Perturbation Analysis for Probabilistic Black-Box Anomaly Attribution
- Tsuyoshi Idé
- Naoki Abe
- 2023
- KDD 2023
Conference paper