# Allowlist: never send private runs, models, credentials or Git history.
**
!pyproject.toml
!uv.lock
!README.md
!LICENSE
!src/
!src/**
!environments/
!environments/docker/
!environments/docker/Dockerfile
!environments/docker/Dockerfile.openmm
!environments/docker/Dockerfile.models
!environments/docker/Dockerfile.boltz
!environments/docker/Dockerfile.complex
!environments/docker/Dockerfile.mmseqs
!environments/docker/Dockerfile.p2rank
!environments/docker/Dockerfile.reaction-free-energy
!environments/reaction-free-energy/
!environments/reaction-free-energy/environment.yaml
!environments/docker/Dockerfile.qmmm
!environments/qmmm/
!environments/qmmm/environment.yaml
!environments/docker/Dockerfile.openfe
!environments/binding-free-energy/
!environments/binding-free-energy/environment.yaml
!environments/binding-free-energy/locks/
!environments/binding-free-energy/locks/linux-aarch64.cuda13.explicit.txt
!environments/install_openff_sources.py
!environments/openff-sources.json
!environments/p2rank/
!environments/p2rank/environment.yaml
!environments/openff-complex-preparation/
!environments/openff-complex-preparation/environment.yaml
!environments/boltz2/
!environments/boltz2/requirements.txt
!environments/boltz2/requirements.torch-cu130.txt
!environments/protein-representations/
!environments/protein-representations/environment.yaml
!environments/openmm/
!environments/openmm/requirements.cuda13.txt
**/__pycache__/**
**/*.pyc
