Category · 57 models

Drug Discovery & Protein Design

Predict structures, design binders, screen molecules at compute scale.

What it is

Specialized scientific models for biology and chemistry — from protein structure prediction to de-novo binder design and ADMET property prediction.

Real-world examples

  • ·Predict a protein structure from sequence
  • ·Design a binder against a chosen target
  • ·Score a 1M-molecule library for ADMET

What to look for

  • ·Benchmarks on CASP / public targets
  • ·Wet-lab validated case studies
  • ·Clear IP terms on outputs

57 models in this category

o3

OpenAI

AIDB92

Frontier reasoning model tuned for math, science and coding workflows.

ReasoningCode
TextProprietary

Claude Opus 4

Anthropic

AIDB90

Top-tier reasoning model for research, analysis and complex writing.

ReasoningText Generation
Text + ImageProprietary

Gemini 2.5 Pro

Google DeepMind

AIDB93

Long-context multimodal model with native tool use and 1M+ token window.

MultimodalReasoningCode
Text + Image + Video + AudioProprietary

DeepSeek-R1

DeepSeek

AIDB89

Open reasoning model trained with RL, competitive with o1-class systems.

ReasoningCode
TextOpen Weights

AlphaFold 3

Google DeepMind / Isomorphic

AIDB92

Predicts the structure and interactions of life's molecules.

Reasoning
StructuredProprietary

Evo 2

Arc Institute

AIDB84

Genome-scale foundation model spanning DNA, RNA and proteins.

Reasoning
SequenceOpen Weights

SAM 2

Meta

AIDB91

Segment Anything for images and video, in real time.

Image Understanding
Image + VideoOpen

Genesis

Genesis Embodied AI

AIDB87

Generative physics platform for robotics simulation and 4D worlds.

3DAgents
SimulationOpen

PaliGemma 2

Google

AIDB90

Open vision-language models for fine-tuning.

Image Understanding
Image + TextOpen Weights

DINOv3

Meta

AIDB92

Self-supervised vision foundation model for image features.

Image UnderstandingEmbeddings
ImageOpen

Grok 4 Heavy

xAI

AIDB90

Multi-agent variant of Grok 4 for the hardest problems.

ReasoningAgents
Text + ImageProprietary

ESM3

EvolutionaryScale

AIDB88

Frontier protein language model for biology design.

Reasoning
SequenceOpen Weights

RFdiffusion

Baker Lab

AIDB88

Open diffusion model for de novo protein design.

Reasoning
SequenceOpen

Boltz-1

MIT / Recursion

AIDB89

Open AlphaFold3-class biomolecular structure prediction model.

Reasoning
StructuredOpen

GraphCast

Google DeepMind

AIDB93

Best-in-class medium-range global weather forecasting AI.

Reasoning
StructuredOpen

GenCast

Google DeepMind

AIDB93

Probabilistic AI weather forecasting beating ENS.

Reasoning
StructuredOpen

Tx-LLM

Google

AIDB93

LLM tuned for therapeutic and drug development tasks.

Reasoning
TextProprietary

Cosmos

NVIDIA

AIDB92

World foundation models for physical AI simulation.

3DAgents
SimulationOpen Weights

OLMo 2

Allen Institute (AI2)

AIDB88

Fully open language model with training data and code released.

Text Generation
TextOpen

Nemotron 4

NVIDIA

AIDB90

NVIDIA's open LLM family for synthetic data and reasoning.

Text GenerationReasoning
TextOpen Weights

John Deere See & Spray

John Deere

AIDB86

Computer vision system that targets herbicide only at weeds in real time.

Image UnderstandingAgents
Edge VisionProprietary

Gemini 3 Pro

Google DeepMind

AIDB95

Leads LMArena Text, WebDev and Vision — Google's flagship multimodal reasoning model.

ReasoningMultimodalCode
Text + Image + Video + AudioProprietary

Gemini 3 Deep Think

Google DeepMind

AIDB95

Extended-thinking variant of Gemini 3 for hardest math, science and research problems.

Reasoning
Text + ImageProprietary

SAM 3D

Meta

AIDB91

Segment Anything 3D — reconstructs objects, scenes and human bodies from a single image.

3DImage Understanding
Image → 3DOpen Weights

Olmo 3

Ai2

AIDB87

Fully open model flow with training data, checkpoints and recipes for reproducible AI.

Text GenerationReasoning
TextOpen

VISTA-R1

Eigen AI

AIDB87

Agentic RL vision-language model for tool-integrated visual reasoning.

ReasoningImage UnderstandingAgents
Text + ImageOpen

Ansys SimAI

Ansys

AIDB86

Cloud generative-AI app delivering near-instant simulation predictions for engineers.

Reasoning
SaaSProprietary

Hunyuan T1

Tencent

AIDB84

Tencent's deep-reasoning model, mamba-based and tuned for complex multi-step problems.

Reasoning
TextProprietary

AlphaGeometry

Google DeepMind

AIDB92

Google DeepMind's mathematics model tracked by Epoch, focused on geometry.

Reasoning
TextOpen Weights

ESM3 (98B)

EvolutionaryScale

AIDB84

More than three billion years of evolution have produced an image of biology encoded into the space of natural proteins.

Text Generation
TextProprietary

Mathstral

Mistral AI

AIDB90

We're contributing Mathstral to the science community to bolster efforts in advanced mathematical problems requiring complex, multi-step logical reasoning.

ReasoningText Generation
TextOpen Weights

Llama 3.1-405B

Meta

AIDB91

Modern artificial intelligence (AI) systems are powered by foundation models.

CodeReasoningText Generation
TextOpen Weights

AlphaProteo

Google DeepMind

AIDB91

Computational design of protein-binding proteins is a fundamental capability with broad utility in biomedical research and biotechnology.

Text Generation
TextProprietary

CHAI-1

Chai discovery

AIDB89

We introduce Chai-1, a multi-modal foundation model for molecular structure prediction that performs at the state-of-the-art across a variety of tasks relevant to drug discovery.

Text Generation
TextOpen Weights

k0-math

Moonshot AI

AIDB86

Artificial general intelligence start-up Kimi, owned by Chinese AI start-up Moonshot AI, on Saturday launched its first reasoning AI model k0-math.

ReasoningText Generation
TextProprietary

o1

OpenAI

AIDB93

We've developed a new series of AI models designed to spend more time thinking before they respond.

CodeMultimodalReasoning
Text + ImageProprietary

INTELLECT-MATH

Prime Intellect

AIDB83

INTELLECT-MATH is a 7B parameter model optimized for mathematical reasoning.

Reasoning
TextOpen Weights

Eurus-2-7B-PRIME

Tsinghua University

AIDB85

Tsinghua University's mathematics model tracked by Epoch, focused on mathematical reasoning.

CodeReasoning
TextOpen Weights

o1-pro

OpenAI

AIDB90

We've developed a new series of AI models designed to spend more time thinking before they respond.

CodeMultimodalReasoning
Text + ImageProprietary

Qwen3-235B-A22B

Alibaba

AIDB86

Today, we are excited to announce the release of Qwen3, the latest addition to the Qwen family of large language models.

CodeReasoningText Generation
TextOpen Weights

Claude Sonnet 4

Anthropic

AIDB89

Claude Sonnet 4 can understand nuanced instructions and context, recognize and correct its own mistakes, and create sophisticated analysis and insights from complex data.

AgentsCodeImage Generation
ImageProprietary

Qwen3-235B-A22B-Thinking (Jul 2025)

Alibaba

AIDB90

Today, we are excited to announce the release of Qwen3, the latest addition to the Qwen family of large language models.

CodeReasoningText Generation
TextOpen Weights

Qwen3-235B-A22B (Jul 2025)

Alibaba

AIDB89

Today, we are excited to announce the release of Qwen3, the latest addition to the Qwen family of large language models.

CodeReasoningText Generation
TextOpen Weights

MindLink-72B

Kunlun Inc.

AIDB78

We introduce MindLink, a new family of large language models developed by Kunlun Inc.

CodeReasoningText Generation
TextProprietary

Gemini 2.5 Deep Think

Google DeepMind

AIDB94

To advance Gemini’s capabilities towards solving hard reasoning problems, we developed a novel reasoning approach, called Deep Think, that naturally blends in parallel thinking techniques during response generation.

Audio / SpeechCodeImage Generation
AudioProprietary

Claude Opus 4.1

Anthropic

AIDB92

Today we're releasing Claude Opus 4.1, an upgrade to Claude Opus 4 on agentic tasks, real-world coding, and reasoning.

AgentsCodeImage Generation
ImageProprietary

AgentFounder-30B

Alibaba

AIDB88

Large language models (LLMs) have evolved into agentic systems capable of autonomous tool use and multi-step reasoning for complex problem-solving.

AgentsCodeReasoning
TextOpen Weights

Ling-1T

Ant Group

AIDB88

Ling-1T is the first flagship non-thinking model in the Ling 2.0 series, featuring 1 trillion total parameters with ≈ 50 billion active parameters per token.

CodeReasoningText Generation
TextOpen Weights

Grok 4.1 Fast

xAI

AIDB88

Today, we’re excited to launch two powerful new additions to the xAI API: Grok 4.1 Fast, our best tool-calling model with a 2M context window.

CodeReasoningText Generation
TextProprietary

DeepSeekMath-V2

DeepSeek

AIDB91

DeepSeek's language model tracked by Epoch, focused on mathematical reasoning.

ReasoningText Generation
TextOpen Weights

A.X K1

SK Telecom

AIDB82

SK Telecom's language model tracked by Epoch, focused on code generation.

CodeReasoningText Generation
TextProprietary

K-EXAONE

LG AI Research

AIDB83

K-EXAONE is a large-scale multilingual language model developed by LG AI Research.

CodeReasoningText Generation
TextProprietary

Marble

World Labs

AIDB85

Fei-Fei Li's World Labs spatial intelligence model that generates explorable 3D worlds from a single image.

3DImage Understanding
Image + 3DProprietary

DiscoPOP

Sakana AI

AIDB87

LLM-discovered preference optimization algorithm from Sakana's evolutionary research line.

Reasoning
TextOpen

Imbue 70B

Imbue

AIDB84

Imbue's research model trained from scratch for robust agentic reasoning and code.

ReasoningCodeAgents
TextProprietary

Nemotron Labs Diffusion 14B

NVIDIA

AIDB90

NVIDIA's open 14B text-generation LM supporting autoregressive, diffusion-style parallel, and self-speculative decoding.

Text GenerationReasoning
TextOpen Weights

HRM Text 1B

Sapient Intelligence

AIDB92

Sapient's 1B Hierarchical Reasoning Model for compact, structured chain-of-thought text generation.

ReasoningText Generation
TextOpen Weights

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