{"id":22957378,"url":"https://github.com/biohacker0/estrogen_3d_molecules_automation","last_synced_at":"2025-09-23T21:37:11.341Z","repository":{"id":198022678,"uuid":"699904113","full_name":"biohacker0/Estrogen_3D_Molecules_Automation","owner":"biohacker0","description":"I have written scripts to automate the ligand, receptor preparation, generating isomers, converting those ismoer to 3d molecules and grid coordinate approximation in multiple scripts","archived":false,"fork":false,"pushed_at":"2023-10-03T16:37:14.000Z","size":1085,"stargazers_count":0,"open_issues_count":0,"forks_count":1,"subscribers_count":1,"default_branch":"main","last_synced_at":"2025-07-28T08:55:27.482Z","etag":null,"topics":[],"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/biohacker0.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}},"created_at":"2023-10-03T15:08:14.000Z","updated_at":"2023-10-03T15:10:45.000Z","dependencies_parsed_at":"2023-10-04T03:42:49.132Z","dependency_job_id":null,"html_url":"https://github.com/biohacker0/Estrogen_3D_Molecules_Automation","commit_stats":null,"previous_names":["biohacker0/estrogen_3d_molecules_automation"],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/biohacker0/Estrogen_3D_Molecules_Automation","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/biohacker0%2FEstrogen_3D_Molecules_Automation","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/biohacker0%2FEstrogen_3D_Molecules_Automation/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/biohacker0%2FEstrogen_3D_Molecules_Automation/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/biohacker0%2FEstrogen_3D_Molecules_Automation/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/biohacker0","download_url":"https://codeload.github.com/biohacker0/Estrogen_3D_Molecules_Automation/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/biohacker0%2FEstrogen_3D_Molecules_Automation/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":276655213,"owners_count":25680935,"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","status":"online","status_checked_at":"2025-09-23T02:00:09.130Z","response_time":73,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"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":[],"created_at":"2024-12-14T17:16:22.113Z","updated_at":"2025-09-23T21:37:11.277Z","avatar_url":"https://github.com/biohacker0.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# Estrogen_3D_Molecules_Automation\nI have written scripts to automate the ligand, receptor preparation, generating isomers, converting those ismoer to 3d molecules and grid coordinate approximation in multiple scripts\n\nFeatures\nStereoisomer Generation: Automatically generate stereoisomers of input molecules to explore different conformations.\n\n3D Molecule Conversion: Convert 2D molecular structures to 3D structures for accurate docking simulations.\n\nImage Generation: Create visual representations of molecular structures for analysis and visualization.\n\nLigand and Receptor Preparation: Automate the preparation of ligand and receptor structures, including format conversion and optimization.\n\nGrid Coordinate Approximation: Generate grid coordinates for docking simulations, making it easy to set up AutoDock Vina configuration files.\n\nConfig File Generator: Automatically generate configuration files for AutoDock Vina with predefined or user-defined parameters.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbiohacker0%2Festrogen_3d_molecules_automation","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fbiohacker0%2Festrogen_3d_molecules_automation","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fbiohacker0%2Festrogen_3d_molecules_automation/lists"}