AI Scientist ICLR 2026

AI Scientist ICLR 2026 • Rio de Janeiro • April 23–27 Apply to interview with our team on-site at ICLR About Proxima Proxima (formerly VantAI) is advancing an AI-native approach to drug discovery by making protein interactions programmable. Our platform brings together foundation-model machine learning, a scalable data generation engine, and a partnership track record exceeding $5B in collaborations across the world’s leading biopharma and tech organizations. We’ve recently closed an oversubscribed seed round partnering us with an elite group of sophisticated and dedicated VCs including DCVC, Nvidia’s Nventures, AIX, Yosemite among others. Neo-1 is our all-atom foundation model that combines state-of-the-art structure prediction and molecular generation in a single system. Neo-1 enables rapid exploration of chemical and structural space for high value, previously intractable targets, and in particular unlocks small molecule proximity therapeutics like molecular glues with AI for the first time. In parallel, we are developing an advanced structural interactomics platform built on proprietary XLMS technology and a lab equipped with next-generation mass spectrometry instrumentation. This platform produces proteome-scale maps of protein interactions and helps identify small molecules that modulate proximity. Together with Neo-1, it creates an integrated system capable of co-folding protein complexes while generating candidate small molecules to influence those interactions. Proximity-based therapeutics represent one of most promising frontiers in modern drug discovery with the potential to treat previously intractable diseases and target ‘undruggable’ proteins. Our technology combines proteome-scale structural data with state-of-the-art generative AI foundation models, and coupled with our talented team of scientists and engineers we are uniquely well-positioned to discover and develop a new class of medicines. Come join us! How to Apply Submit your application to express interest in on-site interview(s) with our team at ICLR 2026 in Rio de Janeiro. If there’s a fit, we’ll reach out to schedule time to meet during the conference (April 23–27). Come ready to talk about your research and what excites you. Why Meet Us at ICLR We’re hiring AI Scientists to build the world’s most advanced pipeline for the design of proximity-inducing molecules You’ll work with a world-class ML research team on unsolved problems at the intersection of generative AI and drug discovery On-site interviews at ICLR are a chance to meet our team, learn about the science, and explore fit in person We’re looking for people who want to push the state of the art in structure prediction, molecular generation, and foundation models for biology About You We are looking for talented AI Scientists to join our team to develop the world’s most advanced pipeline for the design of proximity-inducing molecules. You will conduct research at the bleeding edge of our field, and challenge the SOTA across protein structure prediction and molecular glue design. You will work with a team of world-class machine learning research scientists in an interdisciplinary, research-heavy position on a range of unsolved problems. Key Responsibilities Scientifically direct the design and training of large-scale, state-of-the art deep learning systems Develop novel architecture and training paradigms to lead the industry in unsolved scientific problems Collaborate with content experts from other domains (e.g., chemistry, physics, biology) to enable innovative feature-engineering and novel cross-disciplinary approaches Actively contribute to top-tier ML conferences and journals and attend core ML conferences to stay connected with the community and current trends Basic Requirements MS/PhD degree in Computer Science, Statistics, Applied Mathematics, Computational Biology, Computational Chemistry or other related subject (will also consider BS degrees in these areas for candidates highly qualified across other requirements or with significant work experience) Track record of contributing to novel methods for state-of-the-art leep learning (in industry or through publications) Expertise in ideally several of the following topics: diffusion models, flow matching, transfusion, discrete diffusion, latent diffusion, VAEs, image generation, video generation, LLMs, multimodal LLMs, pre-training, post-training, reinforcement learning, SFT, DPO/GRPO, conditioning, classifier(-free) guidance, LORA, constrained generation scaling, distributed training, tokenization, geometric deep learning, equivariant models, structure-based drug design (SBDD), structure prediction / cofolding, curriculum learning, multi-task learning, transfer learning 4+ years of ML research experience in industry or academia, with strong familiarity with PyTorch Ability to understand business problems and how to build models that can quickly drive value, while prioritizing your research efforts accordingly Preferred Qualifications Strength across core ML fundamentals Deep experience in core NLP/CV Extensive hands-on experience and ability to design and tune models from scratch Experience with large models and scaling Experience with generative models for molecules/proteins