boltzgenlisted
Install: claude install-skill BioTender-max/awesome-bio-agent-skills
# BoltzGen All-Atom Design
## Prerequisites
| Requirement | Minimum | Recommended |
|-------------|---------|-------------|
| Python | 3.10+ | 3.11 |
| CUDA | 12.0+ | 12.1+ |
| GPU VRAM | 24GB | 48GB (L40S) |
| RAM | 32GB | 64GB |
## How to run
> **First time?** See [Installation Guide](../../docs/installation.md) to set up Modal and biomodals.
### Option 1: Modal (recommended)
```bash
# Clone biomodals
git clone https://github.com/hgbrian/biomodals && cd biomodals
# Run BoltzGen (requires YAML config file)
modal run modal_boltzgen.py \
--input-yaml binder_config.yaml \
--protocol protein-anything \
--num-designs 50
# With custom GPU
GPU=L40S modal run modal_boltzgen.py \
--input-yaml binder_config.yaml \
--protocol protein-anything \
--num-designs 100
```
**GPU**: L40S (48GB) recommended | **Timeout**: 120min default
**Available protocols**: `protein-anything`, `peptide-anything`, `protein-small_molecule`, `nanobody-anything`, `antibody-anything`
### Option 2: Local installation
```bash
git clone https://github.com/HannesStark/boltzgen.git
cd boltzgen
pip install -e .
python sample.py config=config.yaml
```
### Option 3: Python API
```python
from boltzgen import BoltzGen
model = BoltzGen.load_pretrained()
designs = model.sample(
target_pdb="target.pdb",
num_samples=50,
binder_length=80
)
```
**GPU**: L40S (48GB) | **Time**: ~30-60s per design
## Key parameters (CLI)
| Parameter | Default | Description |
|-----------|---------|---------