| BioDiscoveryAgent: An AI Agent for Designing Genetic Perturbation Experiments | May 27, 2024 | AI AgentBayesian Optimization | CodeCode Available | 2 |
| LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery | May 16, 2024 | Bilevel Optimizationscientific discovery | CodeCode Available | 2 |
| DiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra | Feb 13, 2025 | DecoderDe novo molecule generation from MS/MS spectrum (bonus chemical formulae) | CodeCode Available | 2 |
| Open Source Planning & Control System with Language Agents for Autonomous Scientific Discovery | Jul 9, 2025 | Language ModelingLanguage Modelling | CodeCode Available | 2 |
| LLaMEA-BO: A Large Language Model Evolutionary Algorithm for Automatically Generating Bayesian Optimization Algorithms | May 27, 2025 | Bayesian OptimizationBenchmarking | CodeCode Available | 2 |
| MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses | Oct 9, 2024 | scientific discoveryvalid | CodeCode Available | 2 |
| SciInstruct: a Self-Reflective Instruction Annotated Dataset for Training Scientific Language Models | Jan 15, 2024 | MathMathematical Reasoning | CodeCode Available | 2 |
| InductionBench: LLMs Fail in the Simplest Complexity Class | Feb 20, 2025 | scientific discovery | CodeCode Available | 1 |
| GraphGPT: Graph Learning with Generative Pre-trained Transformers | Dec 31, 2023 | DecoderGraph Learning | CodeCode Available | 1 |
| Going From Molecules to Genomic Variations to Scientific Discovery: Intelligent Algorithms and Architectures for Intelligent Genome Analysis | May 16, 2022 | scientific discovery | CodeCode Available | 1 |
