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数据与复现
LI
ligandmpnn
维护者 FreedomIntelligence · 最近更新 2026年4月1日
Ligand-aware protein sequence design using LigandMPNN. Use this skill when: (1) Designing sequences around small molecules, (2) Enzyme active site design, (3) Ligand binding pocket optimization, (4) Metal coordination site design, (5) Cofactor binding proteins. For standard protein design, use proteinmpnn. For solubility optimization, use solublempnn.
原始来源
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/ligandmpnn
- 维护者
- FreedomIntelligence
- 许可
- MIT
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
核心说明
- First time? See Installation Guide to set up Modal 、 biomodals。
原始文档
SKILL.md 摘录
Option 1: Modal (recommended)
GPU: T4 (16GB) | Timeout: 600s default
Key parameters
| Parameter | Default | Range | Description |
|---|---|---|---|
--pdb_path | required | path | PDB with ligand |
--num_seq_per_target | 1 | 1-1000 | Sequences per structure |
--sampling_temp | "0.1" | "0.0001-1.0" | Temperature (string!) |
--ligand_mpnn_use_side_chain_context | true | bool | Use ligand context |
In PDB File
Ligand must be present as HETATM records:
适用场景
- Use ligandmpnn in 科研工作流 aligned ，支持 this subject area。
- Follow upstream documentation ，用于 full working procedure。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
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