├── .gitignore ├── LICENSE ├── README.md ├── compute_fitness.py ├── data ├── DDG │ ├── DATASET │ │ ├── 1APS-5.5-28.0 │ │ │ ├── 1APS-5.5-28.0.detail.json │ │ │ ├── 1APS-5.5-28.0.ef.pdb │ │ │ ├── 1APS-5.5-28.0.exp.pdb │ │ │ ├── 1APS-5.5-28.0.fasta │ │ │ ├── 1APS-5.5-28.0.info.json │ │ │ ├── 1APS-5.5-28.0.pdb │ │ │ └── 1APS-5.5-28.0.tsv │ │ ├── 1BPI-7.0-39.0 │ │ │ ├── 1BPI-7.0-39.0.detail.json │ │ │ ├── 1BPI-7.0-39.0.ef.pdb │ │ │ ├── 1BPI-7.0-39.0.exp.pdb │ │ │ ├── 1BPI-7.0-39.0.fasta │ │ │ ├── 1BPI-7.0-39.0.info.json │ │ │ ├── 1BPI-7.0-39.0.pdb │ │ │ └── 1BPI-7.0-39.0.tsv │ │ ├── 1BTA-8.0-25.0 │ │ │ ├── 1BTA-8.0-25.0.detail.json │ │ │ ├── 1BTA-8.0-25.0.ef.pdb │ │ │ ├── 1BTA-8.0-25.0.exp.pdb │ │ │ ├── 1BTA-8.0-25.0.fasta │ │ │ ├── 1BTA-8.0-25.0.info.json │ │ │ ├── 1BTA-8.0-25.0.pdb │ │ │ └── 1BTA-8.0-25.0.tsv │ │ ├── 1C9O-7.0-47.6 │ │ │ ├── 1C9O-7.0-47.6.detail.json │ │ │ ├── 1C9O-7.0-47.6.ef.pdb │ │ │ ├── 1C9O-7.0-47.6.exp.pdb │ │ │ ├── 1C9O-7.0-47.6.fasta │ │ │ ├── 1C9O-7.0-47.6.info.json │ │ │ ├── 1C9O-7.0-47.6.pdb │ │ │ └── 1C9O-7.0-47.6.tsv │ │ ├── 1DIV-5.45-298.15 │ │ │ ├── 1DIV-5.45-298.15.detail.json │ │ │ ├── 1DIV-5.45-298.15.ef.pdb │ │ │ ├── 1DIV-5.45-298.15.exp.pdb │ │ │ ├── 1DIV-5.45-298.15.fasta │ │ │ ├── 1DIV-5.45-298.15.info.json │ │ │ ├── 1DIV-5.45-298.15.pdb │ │ │ └── 1DIV-5.45-298.15.tsv │ │ ├── 1DIV-5.5-25.0 │ │ │ ├── 1DIV-5.5-25.0.detail.json │ │ │ ├── 1DIV-5.5-25.0.ef.pdb │ │ │ ├── 1DIV-5.5-25.0.exp.pdb │ │ │ ├── 1DIV-5.5-25.0.fasta │ │ │ ├── 1DIV-5.5-25.0.info.json │ │ │ ├── 1DIV-5.5-25.0.pdb │ │ │ └── 1DIV-5.5-25.0.tsv │ │ ├── 1DIV-5.5-298.15 │ │ │ ├── 1DIV-5.5-298.15.detail.json │ │ │ ├── 1DIV-5.5-298.15.ef.pdb │ │ │ ├── 1DIV-5.5-298.15.exp.pdb │ │ │ ├── 1DIV-5.5-298.15.fasta │ │ │ ├── 1DIV-5.5-298.15.info.json │ │ │ ├── 1DIV-5.5-298.15.pdb │ │ │ └── 1DIV-5.5-298.15.tsv │ │ ├── 1DIV-8.0-298.15 │ │ │ ├── 1DIV-8.0-298.15.detail.json │ │ │ ├── 1DIV-8.0-298.15.ef.pdb │ │ │ ├── 1DIV-8.0-298.15.exp.pdb │ │ │ ├── 1DIV-8.0-298.15.fasta │ │ │ ├── 1DIV-8.0-298.15.info.json │ │ │ ├── 1DIV-8.0-298.15.pdb │ │ │ └── 1DIV-8.0-298.15.tsv │ │ ├── 1FKJ-7.5-25.0 │ │ │ ├── 1FKJ-7.5-25.0.detail.json │ │ │ ├── 1FKJ-7.5-25.0.ef.pdb │ │ │ ├── 1FKJ-7.5-25.0.exp.pdb │ │ │ ├── 1FKJ-7.5-25.0.fasta │ │ │ ├── 1FKJ-7.5-25.0.info.json │ │ │ ├── 1FKJ-7.5-25.0.pdb │ │ │ └── 1FKJ-7.5-25.0.tsv │ │ ├── 1FXA-7.5-298.15 │ │ │ ├── 1FXA-7.5-298.15.detail.json │ │ │ ├── 1FXA-7.5-298.15.ef.pdb │ │ │ ├── 1FXA-7.5-298.15.exp.pdb │ │ │ ├── 1FXA-7.5-298.15.fasta │ │ │ ├── 1FXA-7.5-298.15.info.json │ │ │ ├── 1FXA-7.5-298.15.pdb │ │ │ └── 1FXA-7.5-298.15.tsv │ │ ├── 1IGV-7.0-25.0 │ │ │ ├── 1IGV-7.0-25.0.detail.json │ │ │ ├── 1IGV-7.0-25.0.ef.pdb │ │ │ ├── 1IGV-7.0-25.0.exp.pdb │ │ │ ├── 1IGV-7.0-25.0.fasta │ │ │ ├── 1IGV-7.0-25.0.info.json │ │ │ ├── 1IGV-7.0-25.0.pdb │ │ │ └── 1IGV-7.0-25.0.tsv │ │ ├── 1L63-5.4-65.3 │ │ │ ├── 1L63-5.4-65.3.detail.json │ │ │ ├── 1L63-5.4-65.3.ef.pdb │ │ │ ├── 1L63-5.4-65.3.exp.pdb │ │ │ ├── 1L63-5.4-65.3.fasta │ │ │ ├── 1L63-5.4-65.3.info.json │ │ │ ├── 1L63-5.4-65.3.pdb │ │ │ └── 1L63-5.4-65.3.tsv │ │ ├── 1LZ1-2.7-49.2 │ │ │ ├── 1LZ1-2.7-49.2.detail.json │ │ │ ├── 1LZ1-2.7-49.2.ef.pdb │ │ │ ├── 1LZ1-2.7-49.2.exp.pdb │ │ │ ├── 1LZ1-2.7-49.2.fasta │ │ │ ├── 1LZ1-2.7-49.2.info.json │ │ │ ├── 1LZ1-2.7-49.2.pdb │ │ │ └── 1LZ1-2.7-49.2.tsv │ │ ├── 1LZ1-2.7-64.9 │ │ │ ├── 1LZ1-2.7-64.9.detail.json │ │ │ ├── 1LZ1-2.7-64.9.ef.pdb │ │ │ ├── 1LZ1-2.7-64.9.exp.pdb │ │ │ ├── 1LZ1-2.7-64.9.fasta │ │ │ ├── 1LZ1-2.7-64.9.info.json │ │ │ ├── 1LZ1-2.7-64.9.pdb │ │ │ └── 1LZ1-2.7-64.9.tsv │ │ ├── 1N88-6.3-298.15 │ │ │ ├── 1N88-6.3-298.15.detail.json │ │ │ ├── 1N88-6.3-298.15.ef.pdb │ │ │ ├── 1N88-6.3-298.15.exp.pdb │ │ │ ├── 1N88-6.3-298.15.fasta │ │ │ ├── 1N88-6.3-298.15.info.json │ │ │ ├── 1N88-6.3-298.15.pdb │ │ │ └── 1N88-6.3-298.15.tsv │ │ ├── 1O6X-7.0-25.0 │ │ │ ├── 1O6X-7.0-25.0.detail.json │ │ │ ├── 1O6X-7.0-25.0.ef.pdb │ │ │ ├── 1O6X-7.0-25.0.exp.pdb │ │ │ ├── 1O6X-7.0-25.0.fasta │ │ │ ├── 1O6X-7.0-25.0.info.json │ │ │ ├── 1O6X-7.0-25.0.pdb │ │ │ └── 1O6X-7.0-25.0.tsv │ │ ├── 1O6X-7.0-298.15 │ │ │ ├── 1O6X-7.0-298.15.detail.json │ │ │ ├── 1O6X-7.0-298.15.ef.pdb │ │ │ ├── 1O6X-7.0-298.15.exp.pdb │ │ │ ├── 1O6X-7.0-298.15.fasta │ │ │ ├── 1O6X-7.0-298.15.info.json │ │ │ ├── 1O6X-7.0-298.15.pdb │ │ │ └── 1O6X-7.0-298.15.tsv │ │ ├── 1PGA-5.2-60.0 │ │ │ ├── 1PGA-5.2-60.0.detail.json │ │ │ ├── 1PGA-5.2-60.0.ef.pdb │ │ │ ├── 1PGA-5.2-60.0.exp.pdb │ │ │ ├── 1PGA-5.2-60.0.fasta │ │ │ ├── 1PGA-5.2-60.0.info.json │ │ │ ├── 1PGA-5.2-60.0.pdb │ │ │ └── 1PGA-5.2-60.0.tsv │ │ ├── 1PGA-5.5-25.0 │ │ │ ├── 1PGA-5.5-25.0.detail.json │ │ │ ├── 1PGA-5.5-25.0.ef.pdb │ │ │ ├── 1PGA-5.5-25.0.exp.pdb │ │ │ ├── 1PGA-5.5-25.0.fasta │ │ │ ├── 1PGA-5.5-25.0.info.json │ │ │ ├── 1PGA-5.5-25.0.pdb │ │ │ └── 1PGA-5.5-25.0.tsv │ │ ├── 1RGG-7.0-25.0 │ │ │ ├── 1RGG-7.0-25.0.detail.json │ │ │ ├── 1RGG-7.0-25.0.ef.pdb │ │ │ ├── 1RGG-7.0-25.0.exp.pdb │ │ │ ├── 1RGG-7.0-25.0.fasta │ │ │ ├── 1RGG-7.0-25.0.info.json │ │ │ ├── 1RGG-7.0-25.0.pdb │ │ │ └── 1RGG-7.0-25.0.tsv │ │ ├── 1RGG-7.0-48.4 │ │ │ ├── 1RGG-7.0-48.4.detail.json │ │ │ ├── 1RGG-7.0-48.4.ef.pdb │ │ │ ├── 1RGG-7.0-48.4.exp.pdb │ │ │ ├── 1RGG-7.0-48.4.fasta │ │ │ ├── 1RGG-7.0-48.4.info.json │ │ │ ├── 1RGG-7.0-48.4.pdb │ │ │ └── 1RGG-7.0-48.4.tsv │ │ ├── 1RGG-7.0-52.6 │ │ │ ├── 1RGG-7.0-52.6.detail.json │ │ │ ├── 1RGG-7.0-52.6.ef.pdb │ │ │ ├── 1RGG-7.0-52.6.exp.pdb │ │ │ ├── 1RGG-7.0-52.6.fasta │ │ │ ├── 1RGG-7.0-52.6.info.json │ │ │ ├── 1RGG-7.0-52.6.pdb │ │ │ └── 1RGG-7.0-52.6.tsv │ │ ├── 1RN1-2.5-0.0 │ │ │ ├── 1RN1-2.5-0.0.detail.json │ │ │ ├── 1RN1-2.5-0.0.ef.pdb │ │ │ ├── 1RN1-2.5-0.0.exp.pdb │ │ │ ├── 1RN1-2.5-0.0.fasta │ │ │ ├── 1RN1-2.5-0.0.info.json │ │ │ ├── 1RN1-2.5-0.0.pdb │ │ │ └── 1RN1-2.5-0.0.tsv │ │ ├── 1ROP-7.0-69.0 │ │ │ ├── 1ROP-7.0-69.0.detail.json │ │ │ ├── 1ROP-7.0-69.0.ef.pdb │ │ │ ├── 1ROP-7.0-69.0.exp.pdb │ │ │ ├── 1ROP-7.0-69.0.fasta │ │ │ ├── 1ROP-7.0-69.0.info.json │ │ │ ├── 1ROP-7.0-69.0.pdb │ │ │ └── 1ROP-7.0-69.0.tsv │ │ ├── 1RTB-5.0-40.0 │ │ │ ├── 1RTB-5.0-40.0.detail.json │ │ │ ├── 1RTB-5.0-40.0.ef.pdb │ │ │ ├── 1RTB-5.0-40.0.exp.pdb │ │ │ ├── 1RTB-5.0-40.0.fasta │ │ │ ├── 1RTB-5.0-40.0.info.json │ │ │ ├── 1RTB-5.0-40.0.pdb │ │ │ └── 1RTB-5.0-40.0.tsv │ │ ├── 1SHF-8.0-80.1 │ │ │ ├── 1SHF-8.0-80.1.detail.json │ │ │ ├── 1SHF-8.0-80.1.ef.pdb │ │ │ ├── 1SHF-8.0-80.1.exp.pdb │ │ │ ├── 1SHF-8.0-80.1.fasta │ │ │ ├── 1SHF-8.0-80.1.info.json │ │ │ ├── 1SHF-8.0-80.1.pdb │ │ │ └── 1SHF-8.0-80.1.tsv │ │ ├── 2ABD-5.3-5.0 │ │ │ ├── 2ABD-5.3-5.0.detail.json │ │ │ ├── 2ABD-5.3-5.0.ef.pdb │ │ │ ├── 2ABD-5.3-5.0.exp.pdb │ │ │ ├── 2ABD-5.3-5.0.fasta │ │ │ ├── 2ABD-5.3-5.0.info.json │ │ │ ├── 2ABD-5.3-5.0.pdb │ │ │ └── 2ABD-5.3-5.0.tsv │ │ ├── 2JHO-4.2-11.0 │ │ │ ├── 2JHO-4.2-11.0.detail.json │ │ │ ├── 2JHO-4.2-11.0.ef.pdb │ │ │ ├── 2JHO-4.2-11.0.exp.pdb │ │ │ ├── 2JHO-4.2-11.0.fasta │ │ │ ├── 2JHO-4.2-11.0.info.json │ │ │ ├── 2JHO-4.2-11.0.pdb │ │ │ └── 2JHO-4.2-11.0.tsv │ │ ├── 2LZM-3.0-51.55 │ │ │ ├── 2LZM-3.0-51.55.detail.json │ │ │ ├── 2LZM-3.0-51.55.ef.pdb │ │ │ ├── 2LZM-3.0-51.55.exp.pdb │ │ │ ├── 2LZM-3.0-51.55.fasta │ │ │ ├── 2LZM-3.0-51.55.info.json │ │ │ ├── 2LZM-3.0-51.55.pdb │ │ │ └── 2LZM-3.0-51.55.tsv │ │ ├── 2LZM-3.01-51.68 │ │ │ ├── 2LZM-3.01-51.68.detail.json │ │ │ ├── 2LZM-3.01-51.68.ef.pdb │ │ │ ├── 2LZM-3.01-51.68.exp.pdb │ │ │ ├── 2LZM-3.01-51.68.fasta │ │ │ ├── 2LZM-3.01-51.68.info.json │ │ │ ├── 2LZM-3.01-51.68.pdb │ │ │ └── 2LZM-3.01-51.68.tsv │ │ ├── 2LZM-5.35-66.6 │ │ │ ├── 2LZM-5.35-66.6.detail.json │ │ │ ├── 2LZM-5.35-66.6.ef.pdb │ │ │ ├── 2LZM-5.35-66.6.exp.pdb │ │ │ ├── 2LZM-5.35-66.6.fasta │ │ │ ├── 2LZM-5.35-66.6.info.json │ │ │ ├── 2LZM-5.35-66.6.pdb │ │ │ └── 2LZM-5.35-66.6.tsv │ │ ├── 2LZM-6.5-64.7 │ │ │ ├── 2LZM-6.5-64.7.detail.json │ │ │ ├── 2LZM-6.5-64.7.ef.pdb │ │ │ ├── 2LZM-6.5-64.7.exp.pdb │ │ │ ├── 2LZM-6.5-64.7.fasta │ │ │ ├── 2LZM-6.5-64.7.info.json │ │ │ ├── 2LZM-6.5-64.7.pdb │ │ │ └── 2LZM-6.5-64.7.tsv │ │ ├── 2PTL-7.0-295.15 │ │ │ ├── 2PTL-7.0-295.15.detail.json │ │ │ ├── 2PTL-7.0-295.15.ef.pdb │ │ │ ├── 2PTL-7.0-295.15.exp.pdb │ │ │ ├── 2PTL-7.0-295.15.fasta │ │ │ ├── 2PTL-7.0-295.15.info.json │ │ │ ├── 2PTL-7.0-295.15.pdb │ │ │ └── 2PTL-7.0-295.15.tsv │ │ ├── 2RN2-6.8-48.1 │ │ │ ├── 2RN2-6.8-48.1.detail.json │ │ │ ├── 2RN2-6.8-48.1.ef.pdb │ │ │ ├── 2RN2-6.8-48.1.exp.pdb │ │ │ ├── 2RN2-6.8-48.1.fasta │ │ │ ├── 2RN2-6.8-48.1.info.json │ │ │ ├── 2RN2-6.8-48.1.pdb │ │ │ └── 2RN2-6.8-48.1.tsv │ │ ├── 2WQG-6.0-322.15 │ │ │ ├── 2WQG-6.0-322.15.detail.json │ │ │ ├── 2WQG-6.0-322.15.ef.pdb │ │ │ ├── 2WQG-6.0-322.15.exp.pdb │ │ │ ├── 2WQG-6.0-322.15.fasta │ │ │ ├── 2WQG-6.0-322.15.info.json │ │ │ ├── 2WQG-6.0-322.15.pdb │ │ │ └── 2WQG-6.0-322.15.tsv │ │ └── 4LYZ-6.4-74.0 │ │ │ ├── 4LYZ-6.4-74.0.detail.json │ │ │ ├── 4LYZ-6.4-74.0.ef.pdb │ │ │ ├── 4LYZ-6.4-74.0.exp.pdb │ │ │ ├── 4LYZ-6.4-74.0.fasta │ │ │ ├── 4LYZ-6.4-74.0.info.json │ │ │ ├── 4LYZ-6.4-74.0.pdb │ │ │ └── 4LYZ-6.4-74.0.tsv │ └── README.md ├── DTM │ ├── DATASET │ │ ├── D4Z2G1-7.5 │ │ │ ├── D4Z2G1-7.5.detail.json │ │ │ ├── D4Z2G1-7.5.ef.pdb │ │ │ ├── D4Z2G1-7.5.fasta │ │ │ ├── D4Z2G1-7.5.info.json │ │ │ ├── D4Z2G1-7.5.pdb │ │ │ └── D4Z2G1-7.5.tsv │ │ ├── O00095-8.0 │ │ │ ├── O00095-8.0.detail.json │ │ │ ├── O00095-8.0.ef.pdb │ │ │ ├── O00095-8.0.fasta │ │ │ ├── O00095-8.0.info.json │ │ │ ├── O00095-8.0.pdb │ │ │ └── O00095-8.0.tsv │ │ ├── O25949-7.2 │ │ │ ├── O25949-7.2.detail.json │ │ │ ├── O25949-7.2.ef.pdb │ │ │ ├── O25949-7.2.fasta │ │ │ ├── O25949-7.2.info.json │ │ │ ├── O25949-7.2.pdb │ │ │ └── O25949-7.2.tsv │ │ ├── P00044-4.6 │ │ │ ├── P00044-4.6.detail.json │ │ │ ├── P00044-4.6.ef.pdb │ │ │ ├── P00044-4.6.fasta │ │ │ ├── P00044-4.6.info.json │ │ │ ├── P00044-4.6.pdb │ │ │ └── P00044-4.6.tsv │ │ ├── P00257-8.5 │ │ │ ├── P00257-8.5.detail.json │ │ │ ├── P00257-8.5.ef.pdb │ │ │ ├── P00257-8.5.fasta │ │ │ ├── P00257-8.5.info.json │ │ │ ├── P00257-8.5.pdb │ │ │ └── P00257-8.5.tsv │ │ ├── P00644-7.0 │ │ │ ├── P00644-7.0.detail.json │ │ │ ├── P00644-7.0.ef.pdb │ │ │ ├── P00644-7.0.fasta │ │ │ ├── P00644-7.0.info.json │ │ │ ├── P00644-7.0.pdb │ │ │ └── P00644-7.0.tsv │ │ ├── P00648-4.4 │ │ │ ├── P00648-4.4.detail.json │ │ │ ├── P00648-4.4.ef.pdb │ │ │ ├── P00648-4.4.fasta │ │ │ ├── P00648-4.4.info.json │ │ │ ├── P00648-4.4.pdb │ │ │ └── P00648-4.4.tsv │ │ ├── P00648-6.3 │ │ │ ├── P00648-6.3.detail.json │ │ │ ├── P00648-6.3.ef.pdb │ │ │ ├── P00648-6.3.fasta │ │ │ ├── P00648-6.3.info.json │ │ │ ├── P00648-6.3.pdb │ │ │ └── P00648-6.3.tsv │ │ ├── P00698-6.4 │ │ │ ├── P00698-6.4.detail.json │ │ │ ├── P00698-6.4.ef.pdb │ │ │ ├── P00698-6.4.fasta │ │ │ ├── P00698-6.4.info.json │ │ │ ├── P00698-6.4.pdb │ │ │ └── P00698-6.4.tsv │ │ ├── P00711-7.4 │ │ │ ├── P00711-7.4.detail.json │ │ │ ├── P00711-7.4.ef.pdb │ │ │ ├── P00711-7.4.fasta │ │ │ ├── P00711-7.4.info.json │ │ │ ├── P00711-7.4.pdb │ │ │ └── P00711-7.4.tsv │ │ ├── P00720-3.0 │ │ │ ├── P00720-3.0.detail.json │ │ │ ├── P00720-3.0.ef.pdb │ │ │ ├── P00720-3.0.fasta │ │ │ ├── P00720-3.0.info.json │ │ │ ├── P00720-3.0.pdb │ │ │ └── P00720-3.0.tsv │ │ ├── P00720-3.01 │ │ │ ├── P00720-3.01.detail.json │ │ │ ├── P00720-3.01.ef.pdb │ │ │ ├── P00720-3.01.fasta │ │ │ ├── P00720-3.01.info.json │ │ │ ├── P00720-3.01.pdb │ │ │ └── P00720-3.01.tsv │ │ ├── P00720-3.05 │ │ │ ├── P00720-3.05.detail.json │ │ │ ├── P00720-3.05.ef.pdb │ │ │ ├── P00720-3.05.fasta │ │ │ ├── P00720-3.05.info.json │ │ │ ├── P00720-3.05.pdb │ │ │ └── P00720-3.05.tsv │ │ ├── P00720-5.35 │ │ │ ├── P00720-5.35.detail.json │ │ │ ├── P00720-5.35.ef.pdb │ │ │ ├── P00720-5.35.fasta │ │ │ ├── P00720-5.35.info.json │ │ │ ├── P00720-5.35.pdb │ │ │ └── P00720-5.35.tsv │ │ ├── P00720-5.4 │ │ │ ├── P00720-5.4.detail.json │ │ │ ├── P00720-5.4.ef.pdb │ │ │ ├── P00720-5.4.fasta │ │ │ ├── P00720-5.4.info.json │ │ │ ├── P00720-5.4.pdb │ │ │ └── P00720-5.4.tsv │ │ ├── P00720-5.42 │ │ │ ├── P00720-5.42.detail.json │ │ │ ├── P00720-5.42.ef.pdb │ │ │ ├── P00720-5.42.fasta │ │ │ ├── P00720-5.42.info.json │ │ │ ├── P00720-5.42.pdb │ │ │ └── P00720-5.42.tsv │ │ ├── P00720-5.7 │ │ │ ├── P00720-5.7.detail.json │ │ │ ├── P00720-5.7.ef.pdb │ │ │ ├── P00720-5.7.fasta │ │ │ ├── P00720-5.7.info.json │ │ │ ├── P00720-5.7.pdb │ │ │ └── P00720-5.7.tsv │ │ ├── P00720-6.5 │ │ │ ├── P00720-6.5.detail.json │ │ │ ├── P00720-6.5.ef.pdb │ │ │ ├── P00720-6.5.fasta │ │ │ ├── P00720-6.5.info.json │ │ │ ├── P00720-6.5.pdb │ │ │ └── P00720-6.5.tsv │ │ ├── P00720-6.78 │ │ │ ├── P00720-6.78.detail.json │ │ │ ├── P00720-6.78.ef.pdb │ │ │ ├── P00720-6.78.fasta │ │ │ ├── P00720-6.78.info.json │ │ │ ├── P00720-6.78.pdb │ │ │ └── P00720-6.78.tsv │ │ ├── P00750-8.0 │ │ │ ├── P00750-8.0.detail.json │ │ │ ├── P00750-8.0.ef.pdb │ │ │ ├── P00750-8.0.fasta │ │ │ ├── P00750-8.0.info.json │ │ │ ├── P00750-8.0.pdb │ │ │ └── P00750-8.0.tsv │ │ ├── P00974-2.0 │ │ │ ├── P00974-2.0.detail.json │ │ │ ├── P00974-2.0.ef.pdb │ │ │ ├── P00974-2.0.fasta │ │ │ ├── P00974-2.0.info.json │ │ │ ├── P00974-2.0.pdb │ │ │ └── P00974-2.0.tsv │ │ ├── P00974-3.0 │ │ │ ├── P00974-3.0.detail.json │ │ │ ├── P00974-3.0.ef.pdb │ │ │ ├── P00974-3.0.fasta │ │ │ ├── P00974-3.0.info.json │ │ │ ├── P00974-3.0.pdb │ │ │ └── P00974-3.0.tsv │ │ ├── P00974-7.0 │ │ │ ├── P00974-7.0.detail.json │ │ │ ├── P00974-7.0.ef.pdb │ │ │ ├── P00974-7.0.fasta │ │ │ ├── P00974-7.0.info.json │ │ │ ├── P00974-7.0.pdb │ │ │ └── P00974-7.0.tsv │ │ ├── P01006-3.2 │ │ │ ├── P01006-3.2.detail.json │ │ │ ├── P01006-3.2.ef.pdb │ │ │ ├── P01006-3.2.fasta │ │ │ ├── P01006-3.2.info.json │ │ │ ├── P01006-3.2.pdb │ │ │ └── P01006-3.2.tsv │ │ ├── P01006-7.0 │ │ │ ├── P01006-7.0.detail.json │ │ │ ├── P01006-7.0.ef.pdb │ │ │ ├── P01006-7.0.fasta │ │ │ ├── P01006-7.0.info.json │ │ │ ├── P01006-7.0.pdb │ │ │ └── P01006-7.0.tsv │ │ ├── P01006-9.5 │ │ │ ├── P01006-9.5.detail.json │ │ │ ├── P01006-9.5.ef.pdb │ │ │ ├── P01006-9.5.fasta │ │ │ ├── P01006-9.5.info.json │ │ │ ├── P01006-9.5.pdb │ │ │ └── P01006-9.5.tsv │ │ ├── P01053-6.3 │ │ │ ├── P01053-6.3.detail.json │ │ │ ├── P01053-6.3.ef.pdb │ │ │ ├── P01053-6.3.fasta │ │ │ ├── P01053-6.3.info.json │ │ │ ├── P01053-6.3.pdb │ │ │ └── P01053-6.3.tsv │ │ ├── P02925-7.0 │ │ │ ├── P02925-7.0.detail.json │ │ │ ├── P02925-7.0.ef.pdb │ │ │ ├── P02925-7.0.fasta │ │ │ ├── P02925-7.0.info.json │ │ │ ├── P02925-7.0.pdb │ │ │ └── P02925-7.0.tsv │ │ ├── P03034-7.0 │ │ │ ├── P03034-7.0.detail.json │ │ │ ├── P03034-7.0.ef.pdb │ │ │ ├── P03034-7.0.fasta │ │ │ ├── P03034-7.0.info.json │ │ │ ├── P03034-7.0.pdb │ │ │ └── P03034-7.0.tsv │ │ ├── P03034-8.0 │ │ │ ├── P03034-8.0.detail.json │ │ │ ├── P03034-8.0.ef.pdb │ │ │ ├── P03034-8.0.fasta │ │ │ ├── P03034-8.0.info.json │ │ │ ├── P03034-8.0.pdb │ │ │ └── P03034-8.0.tsv │ │ ├── P03050-7.5 │ │ │ ├── P03050-7.5.detail.json │ │ │ ├── P03050-7.5.ef.pdb │ │ │ ├── P03050-7.5.fasta │ │ │ ├── P03050-7.5.info.json │ │ │ ├── P03050-7.5.pdb │ │ │ └── P03050-7.5.tsv │ │ ├── P03051-7.0 │ │ │ ├── P03051-7.0.detail.json │ │ │ ├── P03051-7.0.ef.pdb │ │ │ ├── P03051-7.0.fasta │ │ │ ├── P03051-7.0.info.json │ │ │ ├── P03051-7.0.pdb │ │ │ └── P03051-7.0.tsv │ │ ├── P03661-7.0 │ │ │ ├── P03661-7.0.detail.json │ │ │ ├── P03661-7.0.ef.pdb │ │ │ ├── P03661-7.0.fasta │ │ │ ├── P03661-7.0.info.json │ │ │ ├── P03661-7.0.pdb │ │ │ └── P03661-7.0.tsv │ │ ├── P05230-7.3 │ │ │ ├── P05230-7.3.detail.json │ │ │ ├── P05230-7.3.ef.pdb │ │ │ ├── P05230-7.3.fasta │ │ │ ├── P05230-7.3.info.json │ │ │ ├── P05230-7.3.pdb │ │ │ └── P05230-7.3.tsv │ │ ├── P05798-7.0 │ │ │ ├── P05798-7.0.detail.json │ │ │ ├── P05798-7.0.ef.pdb │ │ │ ├── P05798-7.0.fasta │ │ │ ├── P05798-7.0.info.json │ │ │ ├── P05798-7.0.pdb │ │ │ └── P05798-7.0.tsv │ │ ├── P06241-8.0 │ │ │ ├── P06241-8.0.detail.json │ │ │ ├── P06241-8.0.ef.pdb │ │ │ ├── P06241-8.0.fasta │ │ │ ├── P06241-8.0.info.json │ │ │ ├── P06241-8.0.pdb │ │ │ └── P06241-8.0.tsv │ │ ├── P06654-5.2 │ │ │ ├── P06654-5.2.detail.json │ │ │ ├── P06654-5.2.ef.pdb │ │ │ ├── P06654-5.2.fasta │ │ │ ├── P06654-5.2.info.json │ │ │ ├── P06654-5.2.pdb │ │ │ └── P06654-5.2.tsv │ │ ├── P06654-5.5 │ │ │ ├── P06654-5.5.detail.json │ │ │ ├── P06654-5.5.ef.pdb │ │ │ ├── P06654-5.5.fasta │ │ │ ├── P06654-5.5.info.json │ │ │ ├── P06654-5.5.pdb │ │ │ └── P06654-5.5.tsv │ │ ├── P08168-7.0 │ │ │ ├── P08168-7.0.detail.json │ │ │ ├── P08168-7.0.ef.pdb │ │ │ ├── P08168-7.0.fasta │ │ │ ├── P08168-7.0.info.json │ │ │ ├── P08168-7.0.pdb │ │ │ └── P08168-7.0.tsv │ │ ├── P0A3E0-7.0 │ │ │ ├── P0A3E0-7.0.detail.json │ │ │ ├── P0A3E0-7.0.ef.pdb │ │ │ ├── P0A3E0-7.0.fasta │ │ │ ├── P0A3E0-7.0.info.json │ │ │ ├── P0A3E0-7.0.pdb │ │ │ └── P0A3E0-7.0.tsv │ │ ├── P0A7Y4-3.0 │ │ │ ├── P0A7Y4-3.0.detail.json │ │ │ ├── P0A7Y4-3.0.ef.pdb │ │ │ ├── P0A7Y4-3.0.fasta │ │ │ ├── P0A7Y4-3.0.info.json │ │ │ ├── P0A7Y4-3.0.pdb │ │ │ └── P0A7Y4-3.0.tsv │ │ ├── P0A7Y4-3.2 │ │ │ ├── P0A7Y4-3.2.detail.json │ │ │ ├── P0A7Y4-3.2.ef.pdb │ │ │ ├── P0A7Y4-3.2.fasta │ │ │ ├── P0A7Y4-3.2.info.json │ │ │ ├── P0A7Y4-3.2.pdb │ │ │ └── P0A7Y4-3.2.tsv │ │ ├── P0A7Y4-5.5 │ │ │ ├── P0A7Y4-5.5.detail.json │ │ │ ├── P0A7Y4-5.5.ef.pdb │ │ │ ├── P0A7Y4-5.5.fasta │ │ │ ├── P0A7Y4-5.5.info.json │ │ │ ├── P0A7Y4-5.5.pdb │ │ │ └── P0A7Y4-5.5.tsv │ │ ├── P0A7Y4-9.0 │ │ │ ├── P0A7Y4-9.0.detail.json │ │ │ ├── P0A7Y4-9.0.ef.pdb │ │ │ ├── P0A7Y4-9.0.fasta │ │ │ ├── P0A7Y4-9.0.info.json │ │ │ ├── P0A7Y4-9.0.pdb │ │ │ └── P0A7Y4-9.0.tsv │ │ ├── P0A877-7.2 │ │ │ ├── P0A877-7.2.detail.json │ │ │ ├── P0A877-7.2.ef.pdb │ │ │ ├── P0A877-7.2.fasta │ │ │ ├── P0A877-7.2.info.json │ │ │ ├── P0A877-7.2.pdb │ │ │ └── P0A877-7.2.tsv │ │ ├── P0A877-9.0 │ │ │ ├── P0A877-9.0.detail.json │ │ │ ├── P0A877-9.0.ef.pdb │ │ │ ├── P0A877-9.0.fasta │ │ │ ├── P0A877-9.0.info.json │ │ │ ├── P0A877-9.0.pdb │ │ │ └── P0A877-9.0.tsv │ │ ├── P0ABQ4-7.8 │ │ │ ├── P0ABQ4-7.8.detail.json │ │ │ ├── P0ABQ4-7.8.ef.pdb │ │ │ ├── P0ABQ4-7.8.fasta │ │ │ ├── P0ABQ4-7.8.info.json │ │ │ ├── P0ABQ4-7.8.pdb │ │ │ └── P0ABQ4-7.8.tsv │ │ ├── P0ABQ4-8.0 │ │ │ ├── P0ABQ4-8.0.detail.json │ │ │ ├── P0ABQ4-8.0.ef.pdb │ │ │ ├── P0ABQ4-8.0.fasta │ │ │ ├── P0ABQ4-8.0.info.json │ │ │ ├── P0ABQ4-8.0.pdb │ │ │ └── P0ABQ4-8.0.tsv │ │ ├── P0CG48-2.25 │ │ │ ├── P0CG48-2.25.detail.json │ │ │ ├── P0CG48-2.25.ef.pdb │ │ │ ├── P0CG48-2.25.fasta │ │ │ ├── P0CG48-2.25.info.json │ │ │ ├── P0CG48-2.25.pdb │ │ │ └── P0CG48-2.25.tsv │ │ ├── P0CG48-2.5 │ │ │ ├── P0CG48-2.5.detail.json │ │ │ ├── P0CG48-2.5.ef.pdb │ │ │ ├── P0CG48-2.5.fasta │ │ │ ├── P0CG48-2.5.info.json │ │ │ ├── P0CG48-2.5.pdb │ │ │ └── P0CG48-2.5.tsv │ │ ├── P0CG48-2.75 │ │ │ ├── P0CG48-2.75.detail.json │ │ │ ├── P0CG48-2.75.ef.pdb │ │ │ ├── P0CG48-2.75.fasta │ │ │ ├── P0CG48-2.75.info.json │ │ │ ├── P0CG48-2.75.pdb │ │ │ └── P0CG48-2.75.tsv │ │ ├── P0CG48-3.0 │ │ │ ├── P0CG48-3.0.detail.json │ │ │ ├── P0CG48-3.0.ef.pdb │ │ │ ├── P0CG48-3.0.fasta │ │ │ ├── P0CG48-3.0.info.json │ │ │ ├── P0CG48-3.0.pdb │ │ │ └── P0CG48-3.0.tsv │ │ ├── P0CG48-3.25 │ │ │ ├── P0CG48-3.25.detail.json │ │ │ ├── P0CG48-3.25.ef.pdb │ │ │ ├── P0CG48-3.25.fasta │ │ │ ├── P0CG48-3.25.info.json │ │ │ ├── P0CG48-3.25.pdb │ │ │ └── P0CG48-3.25.tsv │ │ ├── P19515-8.0 │ │ │ ├── P19515-8.0.detail.json │ │ │ ├── P19515-8.0.ef.pdb │ │ │ ├── P19515-8.0.fasta │ │ │ ├── P19515-8.0.info.json │ │ │ ├── P19515-8.0.pdb │ │ │ └── P19515-8.0.tsv │ │ ├── P29160-7.4 │ │ │ ├── P29160-7.4.detail.json │ │ │ ├── P29160-7.4.ef.pdb │ │ │ ├── P29160-7.4.fasta │ │ │ ├── P29160-7.4.info.json │ │ │ ├── P29160-7.4.pdb │ │ │ └── P29160-7.4.tsv │ │ ├── P32081-7.0 │ │ │ ├── P32081-7.0.detail.json │ │ │ ├── P32081-7.0.ef.pdb │ │ │ ├── P32081-7.0.fasta │ │ │ ├── P32081-7.0.info.json │ │ │ ├── P32081-7.0.pdb │ │ │ └── P32081-7.0.tsv │ │ ├── P41016-7.0 │ │ │ ├── P41016-7.0.detail.json │ │ │ ├── P41016-7.0.ef.pdb │ │ │ ├── P41016-7.0.fasta │ │ │ ├── P41016-7.0.info.json │ │ │ ├── P41016-7.0.pdb │ │ │ └── P41016-7.0.tsv │ │ ├── P42771-8.5 │ │ │ ├── P42771-8.5.detail.json │ │ │ ├── P42771-8.5.ef.pdb │ │ │ ├── P42771-8.5.fasta │ │ │ ├── P42771-8.5.info.json │ │ │ ├── P42771-8.5.pdb │ │ │ └── P42771-8.5.tsv │ │ ├── P61626-2.7 │ │ │ ├── P61626-2.7.detail.json │ │ │ ├── P61626-2.7.ef.pdb │ │ │ ├── P61626-2.7.fasta │ │ │ ├── P61626-2.7.info.json │ │ │ ├── P61626-2.7.pdb │ │ │ └── P61626-2.7.tsv │ │ ├── P63096-7.4 │ │ │ ├── P63096-7.4.detail.json │ │ │ ├── P63096-7.4.ef.pdb │ │ │ ├── P63096-7.4.fasta │ │ │ ├── P63096-7.4.info.json │ │ │ ├── P63096-7.4.pdb │ │ │ └── P63096-7.4.tsv │ │ ├── P69488-9.0 │ │ │ ├── P69488-9.0.detail.json │ │ │ ├── P69488-9.0.ef.pdb │ │ │ ├── P69488-9.0.fasta │ │ │ ├── P69488-9.0.info.json │ │ │ ├── P69488-9.0.pdb │ │ │ └── P69488-9.0.tsv │ │ ├── Q13526-7.0 │ │ │ ├── Q13526-7.0.detail.json │ │ │ ├── Q13526-7.0.ef.pdb │ │ │ ├── Q13526-7.0.fasta │ │ │ ├── Q13526-7.0.info.json │ │ │ ├── Q13526-7.0.pdb │ │ │ └── Q13526-7.0.tsv │ │ ├── Q93D82-7.7 │ │ │ ├── Q93D82-7.7.detail.json │ │ │ ├── Q93D82-7.7.ef.pdb │ │ │ ├── Q93D82-7.7.fasta │ │ │ ├── Q93D82-7.7.info.json │ │ │ ├── Q93D82-7.7.pdb │ │ │ └── Q93D82-7.7.tsv │ │ ├── Q99972-6.0 │ │ │ ├── Q99972-6.0.detail.json │ │ │ ├── Q99972-6.0.ef.pdb │ │ │ ├── Q99972-6.0.fasta │ │ │ ├── Q99972-6.0.info.json │ │ │ ├── Q99972-6.0.pdb │ │ │ └── Q99972-6.0.tsv │ │ ├── Q9ZAG3-7.1 │ │ │ ├── Q9ZAG3-7.1.detail.json │ │ │ ├── Q9ZAG3-7.1.ef.pdb │ │ │ ├── Q9ZAG3-7.1.fasta │ │ │ ├── Q9ZAG3-7.1.info.json │ │ │ ├── Q9ZAG3-7.1.pdb │ │ │ └── Q9ZAG3-7.1.tsv │ │ └── Q9ZEU2-7.0 │ │ │ ├── Q9ZEU2-7.0.detail.json │ │ │ ├── Q9ZEU2-7.0.ef.pdb │ │ │ ├── Q9ZEU2-7.0.fasta │ │ │ ├── Q9ZEU2-7.0.info.json │ │ │ ├── Q9ZEU2-7.0.pdb │ │ │ └── Q9ZEU2-7.0.tsv │ └── README.md ├── finetune_example │ ├── PDBSol │ │ ├── esmfold_pdb │ │ │ ├── protein_10792.ef.pdb │ │ │ ├── protein_11747.ef.pdb │ │ │ ├── protein_11842.ef.pdb │ │ │ ├── protein_12910.ef.pdb │ │ │ ├── protein_1414.ef.pdb │ │ │ ├── protein_14529.ef.pdb │ │ │ ├── protein_14972.ef.pdb │ │ │ ├── protein_15075.ef.pdb │ │ │ ├── protein_15500.ef.pdb │ │ │ ├── protein_1577.ef.pdb │ │ │ ├── protein_1584.ef.pdb │ │ │ ├── protein_15979.ef.pdb │ │ │ ├── protein_16074.ef.pdb │ │ │ ├── protein_16272.ef.pdb │ │ │ ├── protein_16635.ef.pdb │ │ │ ├── protein_17248.ef.pdb │ │ │ ├── protein_17492.ef.pdb │ │ │ ├── protein_17555.ef.pdb │ │ │ ├── protein_17632.ef.pdb │ │ │ ├── protein_17942.ef.pdb │ │ │ ├── protein_18295.ef.pdb │ │ │ ├── protein_18304.ef.pdb │ │ │ ├── protein_18458.ef.pdb │ │ │ ├── protein_18879.ef.pdb │ │ │ ├── protein_19870.ef.pdb │ │ │ ├── protein_19873.ef.pdb │ │ │ ├── protein_20149.ef.pdb │ │ │ ├── protein_20275.ef.pdb │ │ │ ├── protein_20481.ef.pdb │ │ │ ├── protein_20888.ef.pdb │ │ │ ├── protein_21464.ef.pdb │ │ │ ├── protein_21843.ef.pdb │ │ │ ├── protein_21849.ef.pdb │ │ │ ├── protein_22035.ef.pdb │ │ │ ├── protein_22536.ef.pdb │ │ │ ├── protein_22875.ef.pdb │ │ │ ├── protein_23264.ef.pdb │ │ │ ├── protein_24630.ef.pdb │ │ │ ├── protein_25058.ef.pdb │ │ │ ├── protein_26169.ef.pdb │ │ │ ├── protein_26411.ef.pdb │ │ │ ├── protein_266.ef.pdb │ │ │ ├── protein_27689.ef.pdb │ │ │ ├── protein_27764.ef.pdb │ │ │ ├── protein_29043.ef.pdb │ │ │ ├── protein_29958.ef.pdb │ │ │ ├── protein_3004.ef.pdb │ │ │ ├── protein_30160.ef.pdb │ │ │ ├── protein_30373.ef.pdb │ │ │ ├── protein_3152.ef.pdb │ │ │ ├── protein_3155.ef.pdb │ │ │ ├── protein_32025.ef.pdb │ │ │ ├── protein_32080.ef.pdb │ │ │ ├── protein_32598.ef.pdb │ │ │ ├── protein_32613.ef.pdb │ │ │ ├── protein_33060.ef.pdb │ │ │ ├── protein_33069.ef.pdb │ │ │ ├── protein_33359.ef.pdb │ │ │ ├── protein_33932.ef.pdb │ │ │ ├── protein_3446.ef.pdb │ │ │ ├── protein_35487.ef.pdb │ │ │ ├── protein_36.ef.pdb │ │ │ ├── protein_3602.ef.pdb │ │ │ ├── protein_36326.ef.pdb │ │ │ ├── protein_37515.ef.pdb │ │ │ ├── protein_38356.ef.pdb │ │ │ ├── protein_39573.ef.pdb │ │ │ ├── protein_41635.ef.pdb │ │ │ ├── protein_43475.ef.pdb │ │ │ ├── protein_43682.ef.pdb │ │ │ ├── protein_43850.ef.pdb │ │ │ ├── protein_44076.ef.pdb │ │ │ ├── protein_44330.ef.pdb │ │ │ ├── protein_44357.ef.pdb │ │ │ ├── protein_44542.ef.pdb │ │ │ ├── protein_45120.ef.pdb │ │ │ ├── protein_45341.ef.pdb │ │ │ ├── protein_45457.ef.pdb │ │ │ ├── protein_45606.ef.pdb │ │ │ ├── protein_458.ef.pdb │ │ │ ├── protein_46019.ef.pdb │ │ │ ├── protein_4610.ef.pdb │ │ │ ├── protein_46144.ef.pdb │ │ │ ├── protein_46641.ef.pdb │ │ │ ├── protein_47048.ef.pdb │ │ │ ├── protein_47533.ef.pdb │ │ │ ├── protein_47594.ef.pdb │ │ │ ├── protein_48146.ef.pdb │ │ │ ├── protein_48723.ef.pdb │ │ │ ├── protein_48931.ef.pdb │ │ │ ├── protein_49669.ef.pdb │ │ │ ├── protein_5032.ef.pdb │ │ │ ├── protein_5056.ef.pdb │ │ │ ├── protein_50630.ef.pdb │ │ │ ├── protein_50803.ef.pdb │ │ │ ├── protein_51128.ef.pdb │ │ │ ├── protein_51158.ef.pdb │ │ │ ├── protein_51173.ef.pdb │ │ │ ├── protein_51192.ef.pdb │ │ │ ├── protein_51423.ef.pdb │ │ │ ├── protein_51523.ef.pdb │ │ │ ├── protein_52032.ef.pdb │ │ │ ├── protein_52033.ef.pdb │ │ │ ├── protein_53425.ef.pdb │ │ │ ├── protein_53564.ef.pdb │ │ │ ├── protein_53656.ef.pdb │ │ │ ├── protein_54151.ef.pdb │ │ │ ├── protein_54403.ef.pdb │ │ │ ├── protein_54571.ef.pdb │ │ │ ├── protein_54705.ef.pdb │ │ │ ├── protein_56454.ef.pdb │ │ │ ├── protein_57380.ef.pdb │ │ │ ├── protein_57781.ef.pdb │ │ │ ├── protein_57839.ef.pdb │ │ │ ├── protein_5816.ef.pdb │ │ │ ├── protein_58291.ef.pdb │ │ │ ├── protein_58592.ef.pdb │ │ │ ├── protein_58815.ef.pdb │ │ │ ├── protein_5932.ef.pdb │ │ │ ├── protein_5947.ef.pdb │ │ │ ├── protein_59652.ef.pdb │ │ │ ├── protein_59800.ef.pdb │ │ │ ├── protein_60115.ef.pdb │ │ │ ├── protein_60395.ef.pdb │ │ │ ├── protein_6134.ef.pdb │ │ │ ├── protein_61921.ef.pdb │ │ │ ├── protein_6212.ef.pdb │ │ │ ├── protein_62388.ef.pdb │ │ │ ├── protein_62529.ef.pdb │ │ │ ├── protein_63312.ef.pdb │ │ │ ├── protein_63894.ef.pdb │ │ │ ├── protein_64538.ef.pdb │ │ │ ├── protein_6988.ef.pdb │ │ │ ├── protein_7570.ef.pdb │ │ │ ├── protein_9023.ef.pdb │ │ │ ├── protein_9190.ef.pdb │ │ │ └── protein_9999.ef.pdb │ │ ├── test.csv │ │ ├── train.csv │ │ └── valid.csv │ └── README.md └── mutant_example │ ├── no_exp │ └── DATASET │ │ └── A0A5J4FAY1_MICAE │ │ ├── A0A5J4FAY1_MICAE.csv │ │ └── A0A5J4FAY1_MICAE.pdb │ └── proteingym-benchmark │ ├── DATASET │ ├── A0A1I9GEU1_NEIME_Kennouche_2019 │ │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.fasta │ │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pdb │ │ └── A0A1I9GEU1_NEIME_Kennouche_2019.tsv │ └── A0A2Z5U3Z0_9INFA_Doud_2016 │ │ ├── A0A2Z5U3Z0_9INFA_Doud_2016.fasta │ │ ├── A0A2Z5U3Z0_9INFA_Doud_2016.pdb │ │ └── A0A2Z5U3Z0_9INFA_Doud_2016.tsv │ ├── Proteingym-benchmark_k10 │ ├── graph │ │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pt │ │ └── A0A2Z5U3Z0_9INFA_Doud_2016.pt │ ├── processed │ │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pt │ │ ├── A0A2Z5U3Z0_9INFA_Doud_2016.pt │ │ ├── pre_filter.pt │ │ └── pre_transform.pt │ ├── saved_proteins.txt │ ├── total_proteins.txt │ └── wrong_proteins.txt │ ├── Proteingym-benchmark_k20 │ ├── graph │ │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pt │ │ └── A0A2Z5U3Z0_9INFA_Doud_2016.pt │ ├── processed │ │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pt │ │ ├── A0A2Z5U3Z0_9INFA_Doud_2016.pt │ │ ├── pre_filter.pt │ │ └── pre_transform.pt │ ├── saved_proteins.txt │ ├── total_proteins.txt │ └── wrong_proteins.txt │ └── Proteingym-benchmark_k30 │ ├── graph │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pt │ └── A0A2Z5U3Z0_9INFA_Doud_2016.pt │ ├── processed │ ├── A0A1I9GEU1_NEIME_Kennouche_2019.pt │ ├── A0A2Z5U3Z0_9INFA_Doud_2016.pt │ ├── pre_filter.pt │ └── pre_transform.pt │ ├── saved_proteins.txt │ ├── total_proteins.txt │ └── wrong_proteins.txt ├── environment.yaml ├── get_embedding.py ├── img ├── architecture.png ├── tab3.png └── tab5.png ├── norm ├── cath_k10_mean_attr.pt ├── cath_k20_mean_attr.pt └── cath_k30_mean_attr.pt ├── protssn.py ├── requirements.txt ├── run_ft.py ├── run_pt.py ├── script ├── build_cath_dataset.sh ├── build_mutant_csv.sh ├── compute_fitness.sh ├── get_embedding.sh ├── protssn.sh ├── run_ft.sh └── run_pt.sh └── src ├── build_sav.py ├── config ├── egnn.yaml ├── fsdp_config.yaml ├── gat.yaml └── gcn.yaml ├── data.py ├── dataset ├── cath_dataset.py ├── mutant_dataset.py └── supervise_dataset.py ├── models.py ├── module ├── egnn │ ├── __init__.py │ ├── egnn_pytorch.py │ ├── egnn_pytorch_geometric.py │ ├── network.py │ └── utils.py ├── gat │ └── network.py └── gcn │ └── network.py └── utils ├── data_utils.py ├── dataset_utils.py └── utils.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ai4protein/ProtSSN/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ai4protein/ProtSSN/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ai4protein/ProtSSN/HEAD/README.md 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