| { |
| "project": "PXDesign-main", |
| "layout": { |
| "conf": "Configuration files, example inputs, license files, and reproduction notes.", |
| "model": "PXDesign source code, bundled Protenix/PXDesignBench source trees, original README, and assets.", |
| "scripts": "Installation, dependency, Docker, and download scripts.", |
| "weight": "Model checkpoints, CCD cache, AF2/ProteinMPNN external tool weights, and MSA cache." |
| }, |
| "paths": { |
| "pxdesign_package": "model/pxdesign", |
| "protenix_source": "model/Protenix-pxd", |
| "pxdesignbench_source": "model/PXDesignBench", |
| "example_yaml": "conf/examples/PDL1_quick_start.yaml", |
| "checkpoint_dir": "weight/release_data/checkpoint", |
| "ccd_cache_dir": "weight/release_data/ccd_cache", |
| "tool_weights_root": "weight/tool_weights", |
| "af2_weights": "weight/tool_weights/af2", |
| "mpnn_weights": "weight/tool_weights/mpnn", |
| "reproduction_notes": "conf/PXDESIGN_REPRODUCTION_NOTES.md", |
| "original_readme": "model/README.md" |
| }, |
| "environment": { |
| "conda_env_used": "model_bio", |
| "tool_weights_root_env": "TOOL_WEIGHTS_ROOT=$PWD/weight/tool_weights", |
| "protenix_data_root_env": "PROTENIX_DATA_ROOT_DIR=$PWD/weight/release_data/ccd_cache" |
| }, |
| "validated_tasks": [ |
| "pxdesign check-input", |
| "pxdesign parse-target", |
| "pxdesign infer", |
| "pxdesign pipeline --preset preview", |
| "pxdesign pipeline --preset extended" |
| ], |
| "hpc_runtime_overrides": { |
| "use_fast_ln": false, |
| "use_deepspeed_evo_attention": false, |
| "reason": "The DTK/HIP environment failed to build fastfold_layer_norm_cuda with CUDA compiler flags." |
| } |
| } |
|
|
