Loading BioAtlas...
Loading BioAtlas...
将生物大模型、对接计算引擎与组学管线并排横向对比。按获取方式、硬件开销及细分领域灵活筛选，在一分钟内得出客观可辩护的技术选型方案。
| 技术参数指标 | ＋ 添加工具 | |||||
|---|---|---|---|---|---|---|
| Category | AI Drug Discovery | AI Drug Discovery | AI Drug Discovery | AI Drug Discovery | AI Drug Discovery | — |
| Subcategory | Research AI Methods | Research AI Methods | Molecular Property Prediction | Molecular Design | Research AI Methods | — |
| Company | Research / method authors | Research / method authors | Luo Lab | Sekijima Lab | Research / method authors | — |
| Access mode | Confirm distribution and exact release | Confirm distribution and exact release | Research code or publication | Research code or publication | Confirm distribution and exact release | — |
| Licence conditions | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | Check code and model weights separately | Check code and model weights separately | NOT_INDEPENDENTLY_AUDITED | — |
| Compute requirements | Version and data dependent | Version and data dependent | Check selected checkpoint and runtime; no GPU catalog recommendation | Check selected checkpoint and runtime; no GPU catalog recommendation | Version and data dependent | — |
| Biological application | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | — |
| Research workflow | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | — |
| Evidence level | PEER_REVIEWED_METHOD_OR_CONFERENCE | PEER_REVIEWED_METHOD_OR_CONFERENCE | Peer-reviewed primary method | Peer-reviewed primary method | OFFICIAL_DOCUMENTATION | — |
| Commercial eligibility | NOT_INDEPENDENTLY_AUDITED | NOT_INDEPENDENTLY_AUDITED | Unknown, requires audit | Unknown, requires audit | NOT_INDEPENDENTLY_AUDITED | — |
| Price | Verify access and licence | Verify access and licence | Check selected model licence | Check selected model licence | Verify access and licence | — |
| Availability ⓘ | Method paper or official documentation | Method paper or official documentation | Public research method/code | Public research method/code | Method paper or official documentation | — |
| Features | TargetDiff scientific method, Protein target pocket atom geometry, 3D diffusion-based conditional candidate molecules | ADMET-AI scientific method, Molecular SMILES with well-defined compound stereochemistry and relevant assay domain, Predicted absorption, distribution, metabolism, excretion and toxicity endpoints | Chemical foundation model for learned molecular representations, property prediction and conditional molecule generation., Molecular features, predicted properties or generated SMILES | Diffusion-based ligand molecule generation constrained by specified pocket and pharmacophore interactions., Generated 3D chemical candidate structures | DiffSBDD scientific method, Protein binding pocket coordinates and desired molecular design context, Diffusion-generated candidate ligands | — |
| Entry type | Source-scoped research method | Source-scoped research method | Research AI model / method | Research AI model / method | Source-scoped research method | — |
| AI role | DEEP_LEARNING | ENSEMBLE_ML | Published biomedical AI method | Published biomedical AI method | DEEP_LEARNING | — |
| Input data | Protein target pocket atom geometry | Molecular SMILES with well-defined compound stereochemistry and relevant assay domain | Valid SMILES; trained downstream endpoint or conditioned molecule task | Protein pocket coordinates; interaction constraints | Protein binding pocket coordinates and desired molecular design context | — |
| Output data | 3D diffusion-based conditional candidate molecules | Predicted absorption, distribution, metabolism, excretion and toxicity endpoints | Molecular features; predicted properties or generated SMILES | Generated 3D chemical candidate structures | Diffusion-generated candidate ligands | — |
| Validation | Published method scope; no independent BioAtlas execution or benchmark | Published method scope; no independent BioAtlas execution or benchmark | Requires independent dataset-specific evaluation | Requires independent dataset-specific evaluation | Published method scope; no independent BioAtlas execution or benchmark | — |
| Type | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | — |
| Intended use | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | — |
| Compatibility | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | 未明确记录 | — |