rfdiffusion
Workspace-local gateway for /home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion. The repo contains a Chinese quickstart, test_rfdiffusion.sh, design_ebola_binder.sh, a populated models/ directory, and Docker/Compose entrypoints for inference.
Quick Start
- Repository:
/home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion - Primary smoke test:
./test_rfdiffusion.sh - Primary build step:
docker compose build
When To Use This Tool
- Running RFdiffusion locally from the checked-out workspace repo
- Generating monomer or binder backbones with the repo's inference script
- Reusing the bundled
models/directory and test harness - Exploring the repo's Ebola binder design example
Common Patterns
# Build the RFdiffusion container stack
cd /home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion
docker compose build
# Run the repo's built-in smoke test
cd /home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion
./test_rfdiffusion.sh
# Run direct inference through the repo's compose service
docker compose run --rm --entrypoint /bin/bash rfdiffusion -c \
"python3 scripts/run_inference.py 'contigmap.contigs=[150-150]' inference.output_prefix=outputs/test_run/test inference.num_designs=1 inference.model_directory_path=/app/RFdiffusion/models inference.input_pdb=/app/RFdiffusion/examples/input_pdbs/1qys.pdb"
Recommended Workflow
- Work from the local RFdiffusion repo rather than stale absolute paths copied from older notes.
- Build the Docker/Compose environment first.
- Run
./test_rfdiffusion.shbefore attempting custom binder or motif jobs. - Only move on to custom scripts like
design_ebola_binder.shafter the compose test succeeds.
Guardrails
- Docker images are not prebuilt in this workspace.
docker image inspect rfdiffusionfailed withNo such image: rfdiffusion:latest. - The quickstart document still references
/media/vimalinx/Data/bio_studio/RFdiffusion; the actual workspace repo is under/home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion. - The quickstart notes GPU memory around
8GB+for binder design. test_rfdiffusion.shdepends on Docker Compose and the repo'smodels/directory layout.- RFdiffusion is a generative structure-design tool, not a drop-in sequence-to-structure predictor.