{ "format": "oscr-script-manifest/1", "repository": "github.com/arontier/igpose", "url": "https://github.com/arontier/igpose", "host": "github.com", "commit": "caa585f030a60b28cdefe84e18850af8695e6780", "license": "CC-BY-NC-ND-4.0", "license_confirmed_by": "license file LICENSE", "redistribution": "with_conditions", "files": [ { "path": "LICENSE", "sha256": "4c84b12858907c46e9d617693187ad54bf2d13c35a686d41801b6d8219dfbc32", "language": "License", "lines": 49, "truncated": false, "block": 11, "row": 14378 }, { "path": "README.md", "sha256": "dd9009c354f53f3c1b3ae3da417c8e23d861ff1faa6d56f104db43c8f1eba0d5", "language": "Text", "lines": 44, "truncated": false, "block": 13, "row": 6283 }, { "path": "scripts/generate_graphs/crossdock/generate_graph_slurm_nb_pmhc.sh", "sha256": "be1aec3ced698fde087bb267ae051282c4772d85d41ead23d9b17d6ff4042627", "language": "Shell", "lines": 22, "truncated": false, "block": 13, "row": 5141 }, { "path": "scripts/generate_graphs/crossdock/generate_graph_slurm_tcr_agnb.sh", "sha256": "6db685342b39ab70e7d5e6adfe013a81f6135b732fc4f4d91e559e9327404e4e", "language": "Shell", "lines": 26, "truncated": false, "block": 13, "row": 5245 }, { "path": "scripts/train/crossdock/classification/train_ignore_cdr_interface.sh", "sha256": "b7d3be9914d9a43a3724b33c2ff04bf0640a053df059e491ecf93447ad612192", "language": "Shell", "lines": 14, "truncated": false, "block": 13, "row": 4929 }, { "path": "scripts/train/crossdock/regression/train_ignore_cdr_interface_pooling_reg_ft.sh", "sha256": "02e01bb074e011b4be01dc4645033d74ea32a8020541f6f99149d693880c72e1", "language": "Shell", "lines": 31, "truncated": false, "block": 13, "row": 5305 }, { "path": "scripts/train/crossdock/regression/train_ignore_cdr_interface_pooling_reg_scratch.sh", "sha256": "d3037afaae3d28d537a10b07056269b920c20ca48b1b5b63dc90a083104e33cb", "language": "Shell", "lines": 23, "truncated": false, "block": 13, "row": 5233 }, { "path": "setup.sh", "sha256": "b6faf43e9f01aa3d39d24f5fdb7e7f92b3e8a98d3fbd0104f619ec503cb61e85", "language": "Shell", "lines": 32, "truncated": false, "block": 13, "row": 4988 }, { "path": "src/common/arguments.py", "sha256": "a78ef18b3fc046b7c6fecbd69742b2fd1ecaa8b61664f56124539bf5f3b82666", "language": "Python", "lines": 98, "truncated": false, "block": 12, "row": 16609 }, { "path": "src/common/cdr_utils.py", "sha256": "e4cc5edeb1af7f1341d716b845de8c29c93af07be75e5533bb284ea4b509ff15", "language": "Python", "lines": 99, "truncated": false, "block": 12, "row": 11330 }, { "path": "src/common/collate_embed.py", "sha256": "e258def88470075f9542b8844a33c530f72d52b40762fd1671f06d6eeea28a23", "language": "Python", "lines": 203, "truncated": false, "block": 12, "row": 16662 }, { "path": "src/common/compress_decoy_graph.py", "sha256": "2d6f61c4f24bea02769890b8e5dee0edc4547653867004ccd1cd3fc1d0706131", "language": "Python", "lines": 91, "truncated": false, "block": 12, "row": 10844 }, { "path": "src/common/dataset_utils.py", "sha256": "19c09429864f56053336b2c5410e973db0b929c2a474fa9be44e38356c4b4b28", "language": "Python", "lines": 535, "truncated": false, "block": 12, "row": 20776 }, { "path": "src/common/lora.py", "sha256": "b5cad24cfb74622a5fe7092c3298bdeaebd99f43c1cfb04c107f375237d04a90", "language": "Python", "lines": 26, "truncated": false, "block": 12, "row": 6005 }, { "path": "src/common/losses.py", "sha256": "e151192636ce9b153ea35d7336734ebd46c079ca062673f1605b311f4e651370", "language": "Python", "lines": 281, "truncated": false, "block": 12, "row": 18310 }, { "path": "src/common/mapping_utils.py", "sha256": "c3adb3cb4f401de9e05b5487ca38f8733bfef9f857c508cdc42422b642e5e52a", "language": "Python", "lines": 95, "truncated": false, "block": 12, "row": 12899 }, { "path": "src/common/meta_sampler.py", "sha256": "6aa765033f7090d423fb61351bb8981f0b58c3d478eacce43321ba5460109081", "language": "Python", "lines": 143, "truncated": false, "block": 12, "row": 13374 }, { "path": "src/common/sampling.py", "sha256": "dc0a114ba95dd45c4817e42a9836942ec581eb991f1eefc9ce83a0ead58bb176", "language": "Python", "lines": 117, "truncated": false, "block": 12, "row": 13718 }, { "path": "src/common/train_utils.py", "sha256": "a118628ba8688cb71a86c4cb4ce3dabba6d9f07413f1f615a2d77c62b00ea87c", "language": "Python", "lines": 543, "truncated": false, "block": 12, "row": 21211 }, { "path": "src/common/utils.py", "sha256": "44cc6e8d7479ebf832aff06351c010676ad8a1201a6c04d60ba2b5039add9c90", "language": "Python", "lines": 805, "truncated": false, "block": 12, "row": 22083 }, { "path": "src/datasets/dataset.py", "sha256": "fb8de5652c837f213ca0d2d4a5dc0754d49c6c585355e7f541420d18feb69604", "language": "Python", "lines": 365, "truncated": false, "block": 12, "row": 20188 }, { "path": "src/graph_gen/biopdb_utilities.py", "sha256": "28094c10dac371b89149f93cce477d0cb7f850cdbd566a4a4e04fa9dd8f33449", "language": "Python", "lines": 330, "truncated": false, "block": 12, "row": 18594 }, { "path": "src/graph_gen/generate_esmif_embeds.py", "sha256": "e257b15ae463bb453682ffd252355ee7211713b2cf85cec9f8e9f1f8fd31daea", "language": "Python", "lines": 160, "truncated": false, "block": 12, "row": 15514 }, { "path": "src/graph_gen/make_graph.py", "sha256": "f4c49789d307ddff2ad3e677c456d3d831d7ef3a781dca121b345d5d70b04457", "language": "Python", "lines": 785, "truncated": false, "block": 12, "row": 22242 }, { "path": "src/graph_gen/make_graph_rcsb.py", "sha256": "453b5e4d8c8e43e08136645b524d42544393e1e419bcf04f233ac4f3bb7bda0d", "language": "Python", "lines": 264, "truncated": false, "block": 12, "row": 18582 }, { "path": "src/graph_gen/make_graph_syn.py", "sha256": "8a4df0c82ed4137e9d1ac41ed4bca18c774abfac84fee767452f34dffd32700f", "language": "Python", "lines": 173, "truncated": false, "block": 12, "row": 15699 }, { "path": "src/layers/conv.py", "sha256": "9455fd2aeaaf33b4d52dc40373de9e101b137beb394b0e9d3b7f9e359e0d2014", "language": "Python", "lines": 257, "truncated": false, "block": 12, "row": 18314 }, { "path": "src/layers/conv_pyg.py", "sha256": "d34d88ed7d14ff300a10b5de5d1ff3978640cbbfd4335401b66c1be61f2fdd84", "language": "Python", "lines": 59, "truncated": false, "block": 12, "row": 10786 }, { "path": "src/layers/egnn.py", "sha256": "68c3e8f84d27b61011970a20c0fe569e8fbf60899de2c7fd476a4cddb038ae48", "language": "Python", "lines": 133, "truncated": false, "block": 12, "row": 13650 }, { "path": "src/layers/egnn_pyg.py", "sha256": "b7575e3e1f64fda31b8285b052eb292d2c238aeed3b36a586ff07aa8d6645624", "language": "Python", "lines": 114, "truncated": false, "block": 12, "row": 11555 }, { "path": "src/layers/etgnn.py", "sha256": "476a8f3ec1578f6cba9dcce056357d723ba6e830921501c5fe002001f8de1e8d", "language": "Python", "lines": 219, "truncated": false, "block": 12, "row": 16074 }, { "path": "src/layers/fastegnn.py", "sha256": "e592e11c52d6c26cbbffa2c29ddec411fd51b0b8fec43ece54852a9d0dab6a9d", "language": "Python", "lines": 271, "truncated": false, "block": 12, "row": 18886 }, { "path": "src/layers/norm.py", "sha256": "d1231ff91b17a6692bd18b1c916a32db793061698903a6b7ca273f9ab56a7ae0", "language": "Python", "lines": 24, "truncated": false, "block": 12, "row": 5814 }, { "path": "src/layers/pooling.py", "sha256": "97c71d5833bd0dfa9b802432d4a7314761630a7d3f164d21d69c1014ef70dd3d", "language": "Python", "lines": 361, "truncated": false, "block": 12, "row": 19223 }, { "path": "src/layers/pooling_pyg.py", "sha256": "60c6a4d49a052f63339be887d32dec2a2ef3fcbc222c3c82b11f34da168c8b61", "language": "Python", "lines": 100, "truncated": false, "block": 12, "row": 11806 }, { "path": "src/layers/predictor.py", "sha256": "a01c026d32d56c697c176bed4328819db2dedcb94c86cb93add804484aa6486b", "language": "Python", "lines": 75, "truncated": false, "block": 12, "row": 9589 }, { "path": "src/main.py", "sha256": "f3222cdcfd52e16d919eb4d2f5038cba5ea58d5928712d99273ea5d8233a7320", "language": "Python", "lines": 184, "truncated": false, "block": 12, "row": 15717 }, { "path": "src/models/abepitope.py", "sha256": "cf2b371490e86885502610f9d85c93ca59dc8847432d6025b257798c0a1e056a", "language": "Python", "lines": 53, "truncated": false, "block": 12, "row": 8331 }, { "path": "src/models/ensemble.py", "sha256": "8e45b19b23b51d2834c0d6fb4f46248447ff7e0b7893971238431e2c252d9db9", "language": "Python", "lines": 187, "truncated": false, "block": 12, "row": 16118 }, { "path": "src/models/graph_models.py", "sha256": "e7805cfb96a242f5889a82d69cdfc160d0f9ba5744609de02f64e0a62ec20bc1", "language": "Python", "lines": 127, "truncated": false, "block": 12, "row": 13950 }, { "path": "src/models/graph_models_pyg.py", "sha256": "1b3187b5e0c8dc7cb98b2936edc06a70d640aefc2371ff19b1234d878c2c7e2c", "language": "Python", "lines": 81, "truncated": false, "block": 12, "row": 10859 }, { "path": "src/models/mace_model.py", "sha256": "da67e37500c73297bb7692065b0e907074e9d8203747befc20c44c837f83d21c", "language": "Python", "lines": 74, "truncated": false, "block": 12, "row": 11113 }, { "path": "src/models/nd_graph_models.py", "sha256": "b82838e0c13ec7e0c891aadb9590fb2f0756d4d25d0dabbe3a37f38e34f1987a", "language": "Python", "lines": 31, "truncated": false, "block": 12, "row": 7089 }, { "path": "src/predict.py", "sha256": "b9e3f2e09af71377d9a376a4cbad1b6a2cc33ff95c3fa0d4851cf55c949432f8", "language": "Python", "lines": 402, "truncated": false, "block": 12, "row": 20142 } ] }