Documentation
README
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 to set up Modal and biomodals.
Option 1: Modal (recommended)
# 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
This is the opening of the README. Read the full README on GitHub.