CHANGELOG.md
CITATION.cff
CONTRIBUTING.md
LICENSE
MANIFEST.in
NOTICE
README.md
pyproject.toml
docs/DETERMINISM.md
docs/PROTOCOL.md
docs/REFERENCES.md
docs/STORE.md
docs/USAGE.md
docs/VERSIONS.md
docs/assets/STORE_COMPOSITION.txt
docs/assets/VERSION_COMPARE.txt
docs/assets/store_composition.png
docs/assets/version_compare.png
docs/assets/version_compare_matrix.png
experiments/agreement_stats.py
experiments/backfill_role_names.py
experiments/build_per_definition_store.py
experiments/compare_versions.py
experiments/coverage_report.py
experiments/recompute_alternate_interfaces.py
experiments/repair_ablation.py
experiments/repair_convergence.py
experiments/store_composition.py
experiments/repair_sweep/README.md
experiments/repair_sweep/chain_finalize.sh
experiments/repair_sweep/launch_sweep.sh
experiments/repair_sweep/list_hashes.py
experiments/repair_sweep/residue_check.py
experiments/repair_sweep/sweep_mp.py
skempi_foldx/__init__.py
skempi_foldx/config.py
skempi_foldx/exclusions.py
skempi_foldx/lookup.py
skempi_foldx/run.py
skempi_foldx/skempi.py
skempi_foldx/store.py
skempi_foldx/terms.py
skempi_foldx.egg-info/PKG-INFO
skempi_foldx.egg-info/SOURCES.txt
skempi_foldx.egg-info/dependency_links.txt
skempi_foldx.egg-info/requires.txt
skempi_foldx.egg-info/top_level.txt
skempi_foldx/data/CONSOLIDATION_REPORT.txt
skempi_foldx/data/corrections_from_0_1_0.csv
skempi_foldx/data/results_mp/1A22_A_B.json
skempi_foldx/data/results_mp/1A4Y_A_B.json
skempi_foldx/data/results_mp/1AHW_AB_C.json
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skempi_foldx/data/results_sp/2NU1_E_I.json
skempi_foldx/data/results_sp/2NU2_E_I.json
skempi_foldx/data/results_sp/2NU4_E_I.json
skempi_foldx/data/results_sp/2NYY_DC_A.json
skempi_foldx/data/results_sp/2NZ9_DC_A.json
skempi_foldx/data/results_sp/2O3B_A_B.json
skempi_foldx/data/results_sp/2OI9_AQ_BC.json
skempi_foldx/data/results_sp/2OOB_A_B.json
skempi_foldx/data/results_sp/2P5E_ABC_DE.json
skempi_foldx/data/results_sp/2PCB_A_B.json
skempi_foldx/data/results_sp/2PCC_A_B.json
skempi_foldx/data/results_sp/2REX_A_B.json
skempi_foldx/data/results_sp/2SGP_E_I.json
skempi_foldx/data/results_sp/2SGQ_E_I.json
skempi_foldx/data/results_sp/2SIC_E_I.json
skempi_foldx/data/results_sp/2UWE_ABC_EF.json
skempi_foldx/data/results_sp/2VIR_AB_C.json
skempi_foldx/data/results_sp/2VIS_AB_C.json
skempi_foldx/data/results_sp/2VLN_A_B.json
skempi_foldx/data/results_sp/2VLO_A_B.json
skempi_foldx/data/results_sp/2VLP_A_B.json
skempi_foldx/data/results_sp/2VLQ_A_B.json
skempi_foldx/data/results_sp/2VLR_ABC_DE.json
skempi_foldx/data/results_sp/2WPT_A_B.json
skempi_foldx/data/results_sp/3AAA_AB_C.json
skempi_foldx/data/results_sp/3B4V_AB_C.json
skempi_foldx/data/results_sp/3BK3_A_C.json
skempi_foldx/data/results_sp/3BN9_B_CD.json
skempi_foldx/data/results_sp/3BP8_A_C.json
skempi_foldx/data/results_sp/3BT1_A_U.json
skempi_foldx/data/results_sp/3BTD_E_I.json
skempi_foldx/data/results_sp/3BTE_E_I.json
skempi_foldx/data/results_sp/3BTF_E_I.json
skempi_foldx/data/results_sp/3BTG_E_I.json
skempi_foldx/data/results_sp/3BTH_E_I.json
skempi_foldx/data/results_sp/3BTM_E_I.json
skempi_foldx/data/results_sp/3BTQ_E_I.json
skempi_foldx/data/results_sp/3BTT_E_I.json
skempi_foldx/data/results_sp/3BTW_E_I.json
skempi_foldx/data/results_sp/3BX1_A_C.json
skempi_foldx/data/results_sp/3C60_CD_AB.json
skempi_foldx/data/results_sp/3D3V_ABC_DE.json
skempi_foldx/data/results_sp/3D5R_A_C.json
skempi_foldx/data/results_sp/3D5S_A_C.json
skempi_foldx/data/results_sp/3EG5_A_B.json
skempi_foldx/data/results_sp/3EQS_A_B.json
skempi_foldx/data/results_sp/3EQY_A_C.json
skempi_foldx/data/results_sp/3F1S_A_B.json
skempi_foldx/data/results_sp/3G6D_LH_A.json
skempi_foldx/data/results_sp/3H9S_ABC_DE.json
skempi_foldx/data/results_sp/3HFM_HL_Y.json
skempi_foldx/data/results_sp/3HG1_ABC_DE.json
skempi_foldx/data/results_sp/3HH2_AB_C.json
skempi_foldx/data/results_sp/3KBH_A_E.json
skempi_foldx/data/results_sp/3KUD_A_B.json
skempi_foldx/data/results_sp/3L5X_A_HL.json
skempi_foldx/data/results_sp/3LB6_A_C.json
skempi_foldx/data/results_sp/3LNZ_A_B.json
skempi_foldx/data/results_sp/3LZF_AB_HL.json
skempi_foldx/data/results_sp/3M62_A_B.json
skempi_foldx/data/results_sp/3M63_A_B.json
skempi_foldx/data/results_sp/3MZG_A_B.json
skempi_foldx/data/results_sp/3MZW_A_B.json
skempi_foldx/data/results_sp/3N06_A_B.json
skempi_foldx/data/results_sp/3N0P_A_B.json
skempi_foldx/data/results_sp/3N4I_A_B.json
skempi_foldx/data/results_sp/3N85_A_LH.json
skempi_foldx/data/results_sp/3NCB_A_B.json
skempi_foldx/data/results_sp/3NCC_A_B.json
skempi_foldx/data/results_sp/3NGB_HL_G.json
skempi_foldx/data/results_sp/3NPS_A_BC.json
skempi_foldx/data/results_sp/3NVN_B_A.json
skempi_foldx/data/results_sp/3NVQ_B_A.json
skempi_foldx/data/results_sp/3PWP_ABC_DE.json
skempi_foldx/data/results_sp/3Q3J_A_B.json
skempi_foldx/data/results_sp/3Q8D_A_E.json
skempi_foldx/data/results_sp/3QDG_ABC_DE.json
skempi_foldx/data/results_sp/3QDJ_ABC_DE.json
skempi_foldx/data/results_sp/3QFJ_ABC_DE.json
skempi_foldx/data/results_sp/3QHY_A_B.json
skempi_foldx/data/results_sp/3QIB_ABP_CD.json
skempi_foldx/data/results_sp/3R9A_AC_B.json
skempi_foldx/data/results_sp/3RF3_A_C.json
skempi_foldx/data/results_sp/3S9D_A_B.json
skempi_foldx/data/results_sp/3SE3_B_A.json
skempi_foldx/data/results_sp/3SE4_B_A.json
skempi_foldx/data/results_sp/3SE4_B_C.json
skempi_foldx/data/results_sp/3SE8_HL_G.json
skempi_foldx/data/results_sp/3SE9_HL_G.json
skempi_foldx/data/results_sp/3SEK_B_C.json
skempi_foldx/data/results_sp/3SF4_A_D.json
skempi_foldx/data/results_sp/3SGB_E_I.json
skempi_foldx/data/results_sp/3SZK_AB_C.json
skempi_foldx/data/results_sp/3TGK_E_I.json
skempi_foldx/data/results_sp/3U82_A_B.json
skempi_foldx/data/results_sp/3UIG_A_P.json
skempi_foldx/data/results_sp/3UII_A_P.json
skempi_foldx/data/results_sp/3VR6_ABCDEF_GH.json
skempi_foldx/data/results_sp/3W2D_A_HL.json
skempi_foldx/data/results_sp/3WWN_A_B.json
skempi_foldx/data/results_sp/4B0M_A_BM.json
skempi_foldx/data/results_sp/4BFI_A_B.json
skempi_foldx/data/results_sp/4CPA_A_I.json
skempi_foldx/data/results_sp/4CVW_A_C.json
skempi_foldx/data/results_sp/4E6K_AB_G.json
skempi_foldx/data/results_sp/4EKD_A_B.json
skempi_foldx/data/results_sp/4FTV_ABC_DE.json
skempi_foldx/data/results_sp/4FZA_A_B.json
skempi_foldx/data/results_sp/4G0N_A_B.json
skempi_foldx/data/results_sp/4G2V_A_B.json
skempi_foldx/data/results_sp/4GNK_A_B.json
skempi_foldx/data/results_sp/4GXU_ABCDEF_MN.json
skempi_foldx/data/results_sp/4HFK_A_BD.json
skempi_foldx/data/results_sp/4HRN_A_D.json
skempi_foldx/data/results_sp/4HSA_AB_C.json
skempi_foldx/data/results_sp/4I77_HL_Z.json
skempi_foldx/data/results_sp/4J2L_A_CD.json
skempi_foldx/data/results_sp/4JEU_A_B.json
skempi_foldx/data/results_sp/4JFD_ABC_DE.json
skempi_foldx/data/results_sp/4JFE_ABC_DE.json
skempi_foldx/data/results_sp/4JFF_ABC_DE.json
skempi_foldx/data/results_sp/4JGH_ABC_D.json
skempi_foldx/data/results_sp/4JPK_HL_A.json
skempi_foldx/data/results_sp/4K71_A_BC.json
skempi_foldx/data/results_sp/4KRL_A_B.json
skempi_foldx/data/results_sp/4KRO_A_B.json
skempi_foldx/data/results_sp/4KRP_A_B.json
skempi_foldx/data/results_sp/4L0P_A_B.json
skempi_foldx/data/results_sp/4L3E_ABC_DE.json
skempi_foldx/data/results_sp/4LRX_AB_CD.json
skempi_foldx/data/results_sp/4MNQ_ABC_DE.json
skempi_foldx/data/results_sp/4MYW_A_B.json
skempi_foldx/data/results_sp/4N8V_G_ABC.json
skempi_foldx/data/results_sp/4NKQ_C_AB.json
skempi_foldx/data/results_sp/4NM8_ABCDEF_HL.json
skempi_foldx/data/results_sp/4NZW_A_B.json
skempi_foldx/data/results_sp/4O27_A_B.json
skempi_foldx/data/results_sp/4OFY_A_D.json
skempi_foldx/data/results_sp/4OZG_ABJ_GH.json
skempi_foldx/data/results_sp/4P23_CD_AB.json
skempi_foldx/data/results_sp/4P5T_CD_AB.json
skempi_foldx/data/results_sp/4PWX_AB_CD.json
skempi_foldx/data/results_sp/4RA0_A_C.json
skempi_foldx/data/results_sp/4RS1_A_B.json
skempi_foldx/data/results_sp/4U6H_AB_E.json
skempi_foldx/data/results_sp/4WND_A_B.json
skempi_foldx/data/results_sp/4X4M_AB_E.json
skempi_foldx/data/results_sp/4Y61_A_B.json
skempi_foldx/data/results_sp/4YEB_A_B.json
skempi_foldx/data/results_sp/4YFD_A_B.json
skempi_foldx/data/results_sp/4YH7_A_B.json
skempi_foldx/data/results_sp/4ZS6_HL_A.json
skempi_foldx/data/results_sp/5C6T_HL_A.json
skempi_foldx/data/results_sp/5CXB_A_B.json
skempi_foldx/data/results_sp/5CYK_A_B.json
skempi_foldx/data/results_sp/5DWU_HL_AB.json
skempi_foldx/data/results_sp/5E6P_A_B.json
skempi_foldx/data/results_sp/5E9D_AB_CDE.json
skempi_foldx/data/results_sp/5F4E_A_B.json
skempi_foldx/data/results_sp/5K39_A_B.json
skempi_foldx/data/results_sp/5M2O_A_B.json
skempi_foldx/data/results_sp/5TAR_A_B.json
skempi_foldx/data/results_sp/5UFE_A_B.json
skempi_foldx/data/results_sp/5UFQ_A_C.json
skempi_foldx/data/results_sp/5XCO_A_B.json
tests/conftest.py
tests/test_skempi_foldx.py
tests/test_version_consistency.py