{"id":20915668,"url":"https://github.com/markovmodel/feature_selection","last_synced_at":"2025-08-22T22:05:04.073Z","repository":{"id":85634015,"uuid":"159323774","full_name":"markovmodel/feature_selection","owner":"markovmodel","description":"Variational approach to feature selection","archived":false,"fork":false,"pushed_at":"2018-11-27T11:20:09.000Z","size":156,"stargazers_count":0,"open_issues_count":0,"forks_count":0,"subscribers_count":7,"default_branch":"master","last_synced_at":"2025-01-19T16:23:09.564Z","etag":null,"topics":["msm","vamp","vamp-scores"],"latest_commit_sha":null,"homepage":null,"language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":null,"status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/markovmodel.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":null,"code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2018-11-27T11:19:41.000Z","updated_at":"2018-11-27T13:21:38.000Z","dependencies_parsed_at":"2023-03-13T06:09:33.432Z","dependency_job_id":null,"html_url":"https://github.com/markovmodel/feature_selection","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/markovmodel%2Ffeature_selection","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/markovmodel%2Ffeature_selection/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/markovmodel%2Ffeature_selection/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/markovmodel%2Ffeature_selection/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/markovmodel","download_url":"https://codeload.github.com/markovmodel/feature_selection/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":243307490,"owners_count":20270264,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["msm","vamp","vamp-scores"],"created_at":"2024-11-18T16:17:15.857Z","updated_at":"2025-03-12T23:16:18.698Z","avatar_url":"https://github.com/markovmodel.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"These scripts perform the computation and caching of the features,\ncompute/caching covariances and cross-validated VAMP scoring.\n\nFirst one needs to obtain the DESRES fast folders data set, which is\ncopyrighted and needed to be licensed first (it is free of charge for\nacademic use).\n\nAfter the data set has been extracted, one should point the path\ndefinitions in paths.py.\n\nThen one wants to invoke cache_features.py to compute\nand cache the features.\n\nAfter this step we invoke the calc_cov_single_feat.py script, which computes\nthe VAMP scores for not combined features.\nThe calc_cov_combined_features.py script computes the latter for the combined\nfeatures of flexible torsions and exp(-d) transformation or best scoring\ncontact feature.\n\nFinally in msm_on_vamp_space, we run a MSM analysis. we project onto\nthe VAMP basis computed earlier and cluster via kmeans for different\ncenters. This discretization is then evaluated by a VAMP score\ncomputed on MSM.\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmarkovmodel%2Ffeature_selection","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmarkovmodel%2Ffeature_selection","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmarkovmodel%2Ffeature_selection/lists"}