LICENSES/openfold/MODIFICATIONS.md

OpenFold reference-build modification

FastPLMs pins aqlaboratory/openfold revision 4b41059694619831a7db195b7e0988fc4ff3a307 as an ESMFold parity oracle. The pinned checkout under vendor/upstream/openfold/ is not modified.

The reference-esmfold image applies docker/constraints/openfold-sm90.patch to the copied setup.py before installing OpenFold. The patch replaces OpenFold's build-time fallback CUDA architecture list with sm90 and changes the extension build flag from C++14 to C++17. Docker BuildKit cannot observe the workstation GPU, so the original setup otherwise requests legacy architectures that CUDA 12.1 no longer accepts. PyTorch 2.2 requires C++17, and the H100 requires an sm90 extension.

This is a build-only packaging change. It does not alter OpenFold model classes, extension source, checkpoint data, or the public API used by the native oracle. The resulting reference image is specific to the declared H100 validation environment.

OpenFold imports PyTorch Lightning and NVIDIA DLLogger from its package initializers even though ESMFold inference does not use their training or logging features. The native image therefore pins PyTorch Lightning 1.9.5, TorchMetrics 0.11.4, Lightning Utilities 0.15.2, and NVIDIA DLLogger commit 0478734ff7be75adde8d160e04872664d1c62e5f. These Apache-2.0 dependencies are native-reference-only and are not FastPLMs runtime dependencies.