| Open Source Planning & Control System with Language Agents for Autonomous Scientific Discovery | Jul 9, 2025 | Language ModelingLanguage Modelling | CodeCode Available | 2 | 5 |
| 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 | 5 |
| MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses | Oct 9, 2024 | scientific discoveryvalid | CodeCode Available | 2 | 5 |
| LLaMEA-BO: A Large Language Model Evolutionary Algorithm for Automatically Generating Bayesian Optimization Algorithms | May 27, 2025 | Bayesian OptimizationBenchmarking | CodeCode Available | 2 | 5 |
| LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery | May 16, 2024 | Bilevel Optimizationscientific discovery | CodeCode Available | 2 | 5 |
| Multi-Fidelity Active Learning with GFlowNets | Jun 20, 2023 | Active LearningBayesian Optimization | CodeCode Available | 2 | 5 |
| ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery | Oct 7, 2024 | scientific discovery | CodeCode Available | 2 | 5 |
| Constructing Custom Thermodynamics Using Deep Learning | Aug 8, 2023 | Deep LearningPhysical Intuition | CodeCode Available | 1 | 5 |
| ClimateChat: Designing Data and Methods for Instruction Tuning LLMs to Answer Climate Change Queries | Jun 12, 2025 | scientific discovery | CodeCode Available | 1 | 5 |
| InductionBench: LLMs Fail in the Simplest Complexity Class | Feb 20, 2025 | scientific discovery | CodeCode Available | 1 | 5 |
