This dataset is associated with the MuToN project hosted on GitHub (https://github.com/zpliulab/MuToN). It includes mutation records, PPI complexes, and pre-computed LLM embeddings for the SKEMPI dataset. Contents: ├── data/│ ├── skempi_v2.csv # contains the mutation records in SKEMPI dataset.│ ├── SKEMPI/│ │ ├── raws/ # contains the PPI complexes in SKEMPI dataset.│ │ │ ├── 1CSE.pdb│ │ ├── raw_pdb/ # contains the single wild and mutant structure.│ │ │ ├── 1CSE_E.pdb # extrated from 1CSE.pdb│ │ │ ├── 1CSE_I.pdb│ │ │ ├── 1CSE_I.mut.38_E.pdb # computed mutant structure of 1CSE_E.pdb│ │ ├── llm_embedding/ # contains the pre-computed LLM embeddings using ESM-2.│ │ │ ├── 1CSE_E.npy # LLM embedding of 1CSE_E.pdb, shape=(L, 1280)│ │ │ ├── 1CSE_I.npy│ │ │ ├── 1CSE_I.mut.38_E.npy