Add comprehensive dependency verification to Docker build#18
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The existing verification only tested --help which doesn't catch missing dependencies. Add a second verification step that: - Tests pdbfixer import (conda-only dependency) - Tests openmm import - Tests all graphrelax module imports including idealize - Verifies LigandMPNN weights are downloaded This ensures the Docker image is fully functional before publishing. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
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The existing verification only tested --help which doesn't catch missing dependencies. Add a second verification step that:
This ensures the Docker image is fully functional before publishing.