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 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
Benchmarks LLM and VLM capabilities for toxicity-aware molecular editing using toxicity‑cliff molecule pairs. It provides QA-formatted tasks and CSV splits for fragment identification, non-toxic fragment generation, and detoxified molecule generation—useful for safety evaluation and drug-discovery research.
AI Dataset2026
Multimodal STEM problem set for verifiable, answer-supervised training and RL: contains single-image, multi-panel, and multi-image PhD-level questions across physics, math, chemistry and biology. Each example has a deterministic ground-truth answer, enabling reward modeling and automated evaluation.
AI Model2026
Multimodal 35B scientific foundation model for image+text-to-text reasoning and conversational workflows. Uses task-scaling and full-chain training (pretraining → RL) to boost domain scientific abilities while keeping general multimodal reasoning and agent skills.
AI Dataset2026
Provides per-cell transcriptomes and five-day drug-sensitivity readouts for 1.83M single cells across 52 cancer cell lines and 91 drug conditions, with raw counts plus gene, cell-line, drug, and summary metadata for modeling drug response and context-dependent gene function.
Performs native structural reasoning for proteins, small molecules and inorganic crystals by tokenizing coordinates, topologies and periodic connectivities into a unified structure-aware vocabulary. Treats structural tokens as addressable evidence to produce interpretable prediction traces and improves accuracy across biology, chemistry and materials benchmarks.