AI Infra2010
The N-dimensional array (ndarray) underpinning Python's scientific stack — pandas, scikit-learn, and SciPy build directly on it. Vectorized math, broadcasting, and a C/Fortran bridge move numeric work out of Python loops into compiled code.
AI Others2013
Provides APIs to build, learn, and run Bayesian and dynamic Bayesian networks, perform probabilistic inference, and compute interventional/counterfactual queries. Ships example notebooks, tutorials, and PyPI/conda packages. ([github.com](https://github.com/pgmpy/pgmpy))
Measures why complexity in closed systems rises then falls while entropy only climbs, using a coffee-and-cream cellular automaton. The key result: only interacting particles produce a transient complexity peak; non-interacting ones never do.
Recasts a scatter of competing graph-network designs as one message-passing recipe — propagate, aggregate, read out — then proves it on QM9, hitting chemical accuracy on most molecular property targets without hand-built descriptors.
AI Train2023
Modular PyTorch-based framework for building, training, and deploying physics-informed ML models (neural operators, PINNs, GNNs, diffusion). Provides GPU‑optimized training, domain-specific datapipes for meshes/point clouds, distributed scaling and a model zoo.
AI Train2024
Predicts 3D structures of proteins, nucleic acids, and small-molecule complexes, the first fully open-source model to approach AlphaFold3 accuracy. Boltz-2 adds binding-affinity prediction that nears FEP simulation accuracy at ~1000x the speed.
AI Agent2025
Provides 134 ready-to-use Agent Skills that let AI agents execute multi-step scientific workflows (bioinformatics, cheminformatics, imaging, clinical research). Each skill includes curated docs and examples plus unified access to 100+ scientific databases and common Python packages — for agents that support the Agent Skills standard.
AI Agent2025
A library of ~140 ready-to-use Agent Skills that turn a coding agent (Claude Code, Cursor, Codex) into a science assistant across biology, chemistry, medicine, and drug discovery, with connectors to 100+ scientific databases and Python analysis tools.
AI Dataset2026
Paired brain MRI scans and radiology text annotations for multimodal vision–language research. Provides image-level labels and image–text pairs suited for VQA, classification, and image-to-text tasks; CC BY-NC-SA 4.0 and ~10K–100K samples — research/non-commercial use.
AI Dataset2026
A 228,557-example dataset of reasoning traces segmented into blocks with iterative, compressed "memento" summaries so LLMs can learn to manage long context. Includes a training-ready subset and a `full` subset with sentence/block-level annotations for research and SFT.
AI Dataset2026
Provides 1,000,000 model-generated chain-of-thought traces and instruction–response pairs for fine-tuning and distilled supervision. Focused splits (coding, PHD-Science, General-Math, MultilingualSTEM), ~5B tokens, Apache-2.0 license.
AI Dataset2026
Provides 1,003,589 full chain-of-thought reasoning traces and final answers generated by GLM-5.1, split into main/Math/PHD-Science/Multilingual-STEM subsets. Useful for instruction-tuning, supervised fine-tuning, and reasoning experiments; released under Apache-2.0.