About Aethermol
Revolutionizing Drug Discovery with
Generative AI Innovation
Founded by experts in machine learning and chemical science, Aethermol is dedicated to accelerating drug discovery through innovative AI solutions. Our platform combines cutting-edge generative AI techniques with deep understanding of molecular dynamics to create more effective, safer therapeutics.
Our Founders
Meet the team behind Aethermol
Expert in AI and drug discovery. Leading the technical development of Aethermol's AI platform.
Pioneer in scientific machine learning. Bringing expertise in physics-guided deep learning to Aethermol.
Scientific Advisory Board
Expert guidance shaping our scientific direction
Professor of Pharmaceutical Sciences at UC San Diego and expert in computational chemistry and drug discovery. Dr. Gilson brings decades of experience in molecular modeling, binding thermodynamics, and computer-aided drug design to guide Aethermol's scientific strategy.
Our Technology
Discover how Aethermol is transforming drug discovery through innovative AI solutions
Advanced AI Models
Our proprietary AI models combine deep learning with molecular dynamics to predict drug-target interactions with unprecedented accuracy.
Molecular Design
Generate novel drug candidates optimized for efficacy, safety, and synthesizability using our advanced molecular design algorithms.
Rapid Iteration
Accelerate the drug discovery process through rapid iteration and optimization of promising compounds.
Our Values
At Aethermol, our work is guided by these core principles
Scientific Excellence
We maintain the highest standards of scientific rigor in our research and development, ensuring reliable and reproducible results.
Innovation
We continuously push the boundaries of AI and computational chemistry to develop novel solutions for drug discovery.
Impact
Our ultimate goal is to make a meaningful impact on human health by accelerating the development of effective therapeutics.
Research Impact
Our contributions to the field of AI-powered drug discovery
Publications
Our team regularly publishes research findings in top-tier conferences and journals, advancing the field of AI in drug discovery.
Collaborations
Partnering with leading research institutions and pharmaceutical companies to validate and implement our technology.
Open Science
Contributing to the scientific community through open-source tools and datasets, all available on our GitHub.
Key Publications
Selected research papers from our team
MF-LAL: Drug Compound Generation Using Multi-Fidelity Latent Space Active Learning
Eckmann P, Wu D, Heinzelmann G, Gilson MK, Yu R (2025). International Conference on Machine Learning (ICML)
MFBind: a Multi-Fidelity Approach for Evaluating Drug Compounds in Practical Generative Modeling
Eckmann P, Wu D, Heinzelmann G, Gilson MK, Yu R (2024). arXiv:2402.10387
LIMO: Latent Inceptionism for Targeted Molecule Generation
Eckmann P, Sun K, Zhao B, Feng M, Gilson MK, Yu R (2022). International Conference on Machine Learning (ICML)
Patents and Technical Reports
Computational architecture to generate representations of molecules having targeted properties
Yu R, Eckmann P, Sun K, Zhao B, Feng M, Gilson MK (2023). United States patent pending US20240005179A1
Improving the properties of molecules generated by LIMO
Thumuluri V, Eckmann P, Gilson MK, Yu R (2024). Technical Report. arXiv:2407.14968
Get in Touch
Interested in learning more about our technology or discussing collaboration opportunities?
Reach out to discuss how Aethermol can accelerate your drug discovery projects.