No Test Cases, No Problem: Distillation-Driven Code Generation for Scientific Workflows

Scientific code repositories encode decades of human knowledge in executable models, methods, and tools. Yet fragmented toolchains, implicit domain conventions, and specialized correctness criteria make this knowledge difficult to convert into reliable learning experience-a challenge we call the scientific experience bottleneck. We introduce ScienceIDE, infrastructure for turning the world's scientific code into programmable environments for scientific agents. Guided by expert-defined scientific cases and acceptance criteria, agents transform repositories into executable environments that support task generation, execution, and scientific verification. These environments provide a shared foundation for supervised fine-tuning, reinforcement learning, and evaluation. Using verified interaction trajectories, we train PhAI-IDE-72B, PhAI-IDE-9B, and PhAI-IDE-4B. The model family shows gains in held-out scientific-code repair and across selected general-purpose benchmarks in code, reasoning, and knowledge, providing evidence of positive transfer from scientific experience to broader capabilities. ScienceIDE lays the foundation for an integrated workspace for agent learning and scientific practice, making humanity's scientific software a shared substrate for developing scientific intelligence. Code: https://github.com/aitofound/ScienceIDE

Large language models (LLMs) excel at general-purpose code generation, yet how well they handle scientific code remains an open question. Existing datasets and benchmarks are limited in scale, domain coverage, or executable verification, leaving the true gap between current LLMs and reliable scientific code generators inadequately assessed. To address these limitations, we present SciCodePile, the largest scientific code corpus to date, constructed from 37,737 public repositories and collectively comprising 128GB of code that spans multiple computational science disciplines. From this corpus, we further curate an executable benchmark of 200 tasks, each equipped with a sandboxed execution environment and an automated test harness for functional verification. We evaluate 15 LLMs from both open-source and closed-source families on three tasks: prefix-to-suffix completion, fill-in-the-middle infilling, and executable code generation. Results show that scientific code generation remains highly challenging: The best CodeBLEU reaches only 38.13 and 38.37 on the two completion tasks, while the strongest model achieves just 12.30% Pass@1 on the executable benchmark, underscoring how far current models remain from reliable scientific code generation. To demonstrate the training utility of SciCodePile, we further show that continued pretraining on our corpus improves CodeBLEU by $\times$2.84 on scientific code completion, and instruction tuning on our data improves Pass@1 by $\times$4.79 on the executable benchmark. All code and data are available at https://huggingface.co/SciCodePile.

AI for science promises to accelerate the discovery process. The advent of large language models (LLMs) and agentic workflows enables the expediting of a growing range of scientific tasks. However, most of the current generation of agentic systems depend on static, hand-curated toolsets that hinder adaptation to new domains and evolving libraries. We present El Agente Forjador, a multi-agent framework in which universal coding agents autonomously forge, validate, and reuse computational tools through a four-stage workflow of tool analysis, tool generation, task execution, and iterative solution evaluation. Evaluated across 24 tasks spanning quantum chemistry and quantum dynamics on five coding agent setups, we compare three operating modes: zero-shot generation of tools per task, reuse of a curriculum-built toolset, and direct problem-solving with the coding agents as the baseline. We find that our tool generation and reuse framework consistently improves accuracy over the baseline. We also show that reusing a toolset built by a stronger coding agent can reduce API cost and substantially raises the solution quality for weaker coding agents. Case studies further demonstrate that tools forged for different domains can be combined to solve hybrid tasks. Taken together, these results show that LLM-based agents can use their scientific knowledge and coding capabilities to autonomously build reusable scientific tools, pointing toward a paradigm in which agent capabilities are defined by the tasks they are designed to solve rather than by explicitly engineered implementations.