{"id":13751829,"url":"https://github.com/Acellera/htmd","last_synced_at":"2025-05-09T18:32:43.279Z","repository":{"id":41297237,"uuid":"43194368","full_name":"Acellera/htmd","owner":"Acellera","description":"HTMD: Programming Environment for Molecular Discovery","archived":false,"fork":false,"pushed_at":"2024-05-10T10:01:28.000Z","size":286216,"stargazers_count":249,"open_issues_count":19,"forks_count":58,"subscribers_count":19,"default_branch":"master","last_synced_at":"2024-05-11T08:34:09.078Z","etag":null,"topics":["automate","drug-discovery","htmd","molecular-simulations"],"latest_commit_sha":null,"homepage":"https://software.acellera.com/docs/latest/htmd/index.html","language":"Rich Text Format","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"other","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/Acellera.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":"2015-09-26T06:06:54.000Z","updated_at":"2024-06-04T14:12:29.687Z","dependencies_parsed_at":"2024-05-10T08:32:13.588Z","dependency_job_id":"2a50b706-19ef-4453-8556-a614b51f5094","html_url":"https://github.com/Acellera/htmd","commit_stats":null,"previous_names":[],"tags_count":286,"template":false,"template_full_name":null,"repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Acellera%2Fhtmd","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Acellera%2Fhtmd/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Acellera%2Fhtmd/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/Acellera%2Fhtmd/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/Acellera","download_url":"https://codeload.github.com/Acellera/htmd/tar.gz/refs/heads/master","host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":224876976,"owners_count":17384699,"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":["automate","drug-discovery","htmd","molecular-simulations"],"created_at":"2024-08-03T09:00:55.433Z","updated_at":"2024-11-16T04:31:51.290Z","avatar_url":"https://github.com/Acellera.png","language":"Rich Text Format","funding_links":[],"categories":["Molecular dynamics","Simulations","Ranked by starred repositories"],"sub_categories":["MD Engines-Frameworks"],"readme":"[![Build Status](https://dev.azure.com/stefdoerr/htmd/_apis/build/status/Acellera.htmd?branchName=master)](https://dev.azure.com/stefdoerr/htmd/_build/latest?definitionId=3\u0026branchName=master)\n[![Conda](https://anaconda.org/acellera/htmd/badges/version.svg)](https://anaconda.org/acellera/HTMD)\n\n\u003c!---[![Build status](https://ci.appveyor.com/api/projects/status/m1bxrop34b2qw68x/branch/master?svg=true)](https://ci.appveyor.com/project/acelleraci/htmd/branch/master)---\u003e\n\n# HTMD: Programming Environment for Molecular Discovery\n\n[HTMD](https://www.htmd.org) (acronym for High-Throughput Molecular Dynamics) is a programmable, extensible platform\nwritten in Python. It provides a complete workspace for simulation-based discovery through molecular simulations while\naiming to solve the data generation and analysis problem as well as increase reproducibility.\n\n## Licensing\n\nHTMD Community Edition is free to use for non-profit work. Contact Acellera\n[www.acellera.com/contact](https://www.acellera.com/contact/) for information on the full version HTMD Pro or if you need a different license.\n\n## Download HTMD\n\n### Using released versions\n\nHTMD is distributed through conda package manager. The instructions for downloading HTMD can be found in\n[https://software.acellera.com/htmd/installation.html](https://software.acellera.com/htmd/installation.html).\n\n### Using this repository\n\nIf you want to use this repository, we recommend to still download a released version of HTMD to have all dependencies\nand then set PYTHONPATH to the git directory.\n\n## HTMD Documentation and User Guide\n\nFor HTMD Documentation, please visit:\n[https://software.acellera.com/htmd/api.html](https://software.acellera.com/htmd/api.html).\n\nFor a User Guide (easy to start examples), please visit:\n[https://software.acellera.com/htmd/tutorials.html](https://software.acellera.com/htmd/tutorials.html)\n\n## Support and Development\n\nPlease report bugs via [GitHub Issues](https://github.org/acellera/htmd/issues).\n\nHTMD is an open-source software and we welcome contributions from the community.\n\n## Citing HTMD\n\nIf you use HTMD in your publication please cite:\n\nStefan Doerr, Matthew J. Harvey, Frank Noé, and Gianni De Fabritiis.\n**HTMD: High-throughput molecular dynamics for molecular discovery.**\n_Journal of Chemical Theory and Computation_, **2016**, _12_ (4), pp 1845–1852.\n[doi:10.1021/acs.jctc.6b00049](http://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00049)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2FAcellera%2Fhtmd","html_url":"https://awesome.ecosyste.ms/projects/github.com%2FAcellera%2Fhtmd","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2FAcellera%2Fhtmd/lists"}