{"id":63753,"url":"https://github.com/deepmodeling/deepmodeling-projects","name":"deepmodeling-projects","description":"DeepModeling projects","projects_count":75,"last_synced_at":"2026-04-17T05:00:38.049Z","repository":{"id":204604242,"uuid":"712206641","full_name":"deepmodeling/deepmodeling-projects","owner":"deepmodeling","description":"DeepModeling projects","archived":false,"fork":false,"pushed_at":"2026-04-10T08:56:57.000Z","size":3060,"stargazers_count":8,"open_issues_count":25,"forks_count":2,"subscribers_count":2,"default_branch":"main","last_synced_at":"2026-04-10T10:39:17.617Z","etag":null,"topics":["awesome-list"],"latest_commit_sha":null,"homepage":null,"language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"cc-by-sa-4.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/deepmodeling.png","metadata":{"files":{"readme":"README.md","changelog":"history/2023-10-31_changes.md","contributing":"CONTRIBUTING.md","funding":null,"license":"LICENSE","code_of_conduct":".github/CODE_OF_CONDUCT.md","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,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2023-10-31T02:20:45.000Z","updated_at":"2026-04-10T08:57:00.000Z","dependencies_parsed_at":"2026-03-05T05:00:33.358Z","dependency_job_id":null,"html_url":"https://github.com/deepmodeling/deepmodeling-projects","commit_stats":null,"previous_names":["njzjz/deepmodeling-projects","deepmodeling/deepmodeling-projects"],"tags_count":133,"template":false,"template_full_name":"best-of-lists/best-of","purl":"pkg:github/deepmodeling/deepmodeling-projects","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/deepmodeling%2Fdeepmodeling-projects","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/deepmodeling%2Fdeepmodeling-projects/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/deepmodeling%2Fdeepmodeling-projects/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/deepmodeling%2Fdeepmodeling-projects/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/deepmodeling","download_url":"https://codeload.github.com/deepmodeling/deepmodeling-projects/tar.gz/refs/heads/main","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/deepmodeling%2Fdeepmodeling-projects/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":31915900,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-04-16T18:22:33.417Z","status":"online","status_checked_at":"2026-04-17T02:00:06.879Z","response_time":62,"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"}},"readme":"\u003c!-- markdownlint-disable --\u003e\n\u003ch1 align=\"center\"\u003e\n    deepmodeling-projects\n    \u003cbr\u003e\n\u003c/h1\u003e\n\n\u003cp align=\"center\"\u003e\n    \u003cstrong\u003e🏆\u0026nbsp; A ranked list of awesome projects. Updated weekly.\u003c/strong\u003e\n\u003c/p\u003e\n\n\u003cp align=\"center\"\u003e\n    \u003ca href=\"https://best-of.org\" title=\"Best-of Badge\"\u003e\u003cimg src=\"http://bit.ly/3o3EHNN\"\u003e\u003c/a\u003e\n    \u003ca href=\"#Contents\" title=\"Project Count\"\u003e\u003cimg src=\"https://img.shields.io/badge/projects-38-blue.svg?color=5ac4bf\"\u003e\u003c/a\u003e\n    \u003ca href=\"#Contribution\" title=\"Contributions are welcome\"\u003e\u003cimg src=\"https://img.shields.io/badge/contributions-welcome-green.svg\"\u003e\u003c/a\u003e\n    \u003ca href=\"https://github.com/deepmodeling/deepmodeling-projects/releases\" title=\"Best-of Updates\"\u003e\u003cimg src=\"https://img.shields.io/github/release-date/deepmodeling/deepmodeling-projects?color=green\u0026label=updated\"\u003e\u003c/a\u003e\n\u003c/p\u003e\n\nThis curated list contains 38 awesome open-source projects with a total of 4.9K stars grouped into 0 categories. All projects are ranked by a project-quality score, which is calculated based on various metrics automatically collected from GitHub and different package managers. If you like to add or update projects, feel free to open an [issue](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose), submit a [pull request](https://github.com/deepmodeling/deepmodeling-projects/pulls), or directly edit the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml). Contributions are very welcome!\n\n\u003e 🧙‍♂️  Discover other [best-of lists](https://best-of.org) or [create your own](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).\n\n## Contents\n\n- [Others](#others) _38 projects_\n\n## Explanation\n- 🥇🥈🥉\u0026nbsp; Combined project-quality score\n- ⭐️\u0026nbsp; Star count from GitHub\n- 🐣\u0026nbsp; New project _(less than 6 months old)_\n- 💤\u0026nbsp; Inactive project _(6 months no activity)_\n- 💀\u0026nbsp; Dead project _(999999999 months no activity)_\n- 📈📉\u0026nbsp; Project is trending up or down\n- ➕\u0026nbsp; Project was recently added\n- 👨‍💻\u0026nbsp; Contributors count from GitHub\n- 🔀\u0026nbsp; Fork count from GitHub\n- 📋\u0026nbsp; Issue count from GitHub\n- ⏱️\u0026nbsp; Last update timestamp on package manager\n- 📥\u0026nbsp; Download count from package manager\n- 📦\u0026nbsp; Number of dependent projects\n\n\u003cbr\u003e\n\n## Others\n\n\u003ca href=\"#contents\"\u003e\u003cimg align=\"right\" width=\"15\" height=\"15\" src=\"https://git.io/JtehR\" alt=\"Back to top\"\u003e\u003c/a\u003e\n\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/deepmd-kit\"\u003eDeePMD-kit\u003c/a\u003e\u003c/b\u003e (🥇27 ·  ⭐ 1.9K · 📉) - A deep learning package for many-body potential energy representation and molecular dynamics. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/deepmd-kit) (👨‍💻 84 · 🔀 580 · 📥 69K · 📋 1K - 10% open · ⏱️ 08.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/deepmd-kit\n\t```\n- [PyPi](https://pypi.org/project/deepmd-kit) (📥 7.1K / month):\n\t```\n\tpip install deepmd-kit\n\t```\n- [Conda](https://anaconda.org/conda-forge/deepmd-kit) (📥 2.7M · ⏱️ 19.03.2026):\n\t```\n\tconda install -c conda-forge deepmd-kit\n\t```\n- [npm](https://www.npmjs.com/package/deepmd-kit) (📥 15 / month):\n\t```\n\tnpm install deepmd-kit\n\t```\n- [Docker Hub](https://hub.docker.com/r/deepmodeling/deepmd-kit) (📥 5.4K · ⭐ 1 · ⏱️ 05.04.2026):\n\t```\n\tdocker pull deepmodeling/deepmd-kit\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dpdata\"\u003edpdata\u003c/a\u003e\u003c/b\u003e (🥇27 ·  ⭐ 240 · 📈) - A Python package for manipulating atomistic data of software in computational science. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dpdata) (👨‍💻 67 · 🔀 150 · 📦 160 · 📋 140 - 20% open · ⏱️ 06.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dpdata\n\t```\n- [PyPi](https://pypi.org/project/dpdata) (📥 72K / month):\n\t```\n\tpip install dpdata\n\t```\n- [Conda](https://anaconda.org/conda-forge/dpdata) (📥 120K · ⏱️ 01.03.2026):\n\t```\n\tconda install -c conda-forge dpdata\n\t```\n- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdata) (📥 730 · ⏱️ 02.06.2023):\n\t```\n\tdocker pull dptechnology/dpdata\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/abacus-develop\"\u003eABACUS\u003c/a\u003e\u003c/b\u003e (🥇25 ·  ⭐ 260) - An electronic structure package based on either plane wave basis or numerical atomic orbitals. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/abacus-develop) (👨‍💻 150 · 🔀 220 · 📋 2.5K - 7% open · ⏱️ 09.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/abacus-develop\n\t```\n- [Conda](https://anaconda.org/conda-forge/abacus) (📥 630K · ⏱️ 20.12.2025):\n\t```\n\tconda install -c conda-forge abacus\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dpdispatcher\"\u003edpdispatcher\u003c/a\u003e\u003c/b\u003e (🥇23 ·  ⭐ 57) - generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dpdispatcher) (👨‍💻 49 · 🔀 58 · 📦 70 · 📋 99 - 19% open · ⏱️ 29.03.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dpdispatcher\n\t```\n- [PyPi](https://pypi.org/project/dpdispatcher) (📥 2.8K / month):\n\t```\n\tpip install dpdispatcher\n\t```\n- [Conda](https://anaconda.org/conda-forge/dpdispatcher) (📥 42K · ⏱️ 25.02.2026):\n\t```\n\tconda install -c conda-forge dpdispatcher\n\t```\n- [Docker Hub](https://hub.docker.com/r/dptechnology/dpdispatcher) (📥 150K · ⏱️ 29.03.2026):\n\t```\n\tdocker pull dptechnology/dpdispatcher\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dpgen\"\u003eDP-GEN\u003c/a\u003e\u003c/b\u003e (🥈22 ·  ⭐ 380 · 📉) - The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dpgen) (👨‍💻 73 · 🔀 180 · 📥 2.1K · 📋 340 - 11% open · ⏱️ 06.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dpgen\n\t```\n- [PyPi](https://pypi.org/project/dpgen) (📥 660 / month):\n\t```\n\tpip install dpgen\n\t```\n- [Conda](https://anaconda.org/conda-forge/dpgen) (📥 50K · ⏱️ 07.08.2025):\n\t```\n\tconda install -c conda-forge dpgen\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/reacnetgenerator\"\u003ereacnetgenerator\u003c/a\u003e\u003c/b\u003e (🥈20 ·  ⭐ 97) - an automatic reaction network generator for reactive molecular dynamics simulation. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/reacnetgenerator) (👨‍💻 19 · 🔀 46 · 📦 3 · 📋 130 - 6% open · ⏱️ 15.03.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/reacnetgenerator\n\t```\n- [PyPi](https://pypi.org/project/reacnetgenerator) (📥 2.5K / month):\n\t```\n\tpip install reacnetgenerator\n\t```\n- [Conda](https://anaconda.org/conda-forge/reacnetgenerator) (📥 760K · ⏱️ 11.11.2025):\n\t```\n\tconda install -c conda-forge reacnetgenerator\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dargs\"\u003edargs\u003c/a\u003e\u003c/b\u003e (🥈18 ·  ⭐ 6) - Argument processing for the deep modeling project. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dargs) (👨‍💻 8 · 🔀 4 · 📦 160 · 📋 14 - 21% open · ⏱️ 24.02.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dargs\n\t```\n- [PyPi](https://pypi.org/project/dargs) (📥 80K / month):\n\t```\n\tpip install dargs\n\t```\n- [Conda](https://anaconda.org/conda-forge/dargs) (📥 63K · ⏱️ 25.02.2026):\n\t```\n\tconda install -c conda-forge dargs\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/deepflame-dev\"\u003eDeepFlame\u003c/a\u003e\u003c/b\u003e (🥈17 ·  ⭐ 210) - A deep learning empowered open-source platform for reacting flow simulations. \u003ccode\u003e\u003ca href=\"http://bit.ly/2M0xdwT\"\u003eGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/deepflame-dev) (👨‍💻 30 · 🔀 75 · 📋 63 - 41% open · ⏱️ 14.02.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/deepflame-dev\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dflow\"\u003edflow\u003c/a\u003e\u003c/b\u003e (🥈17 ·  ⭐ 81) - Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows).. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dflow) (👨‍💻 23 · 🔀 29 · 📋 36 - 36% open · ⏱️ 21.01.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dflow\n\t```\n- [PyPi](https://pypi.org/project/dflow):\n\t```\n\tpip install dflow\n\t```\n- [Conda](https://anaconda.org/conda-forge/dflow):\n\t```\n\tconda install -c conda-forge dflow\n\t```\n- [Docker Hub](https://hub.docker.com/r/dptechnology/dflow) (📥 18K · ⏱️ 21.01.2026):\n\t```\n\tdocker pull dptechnology/dflow\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dpgen2\"\u003eDPGEN2\u003c/a\u003e\u003c/b\u003e (🥈16 ·  ⭐ 40) - 2nd generation of the Deep Potential GENerator. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dpgen2) (👨‍💻 19 · 🔀 36 · 📦 6 · 📋 46 - 39% open · ⏱️ 04.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dpgen2\n\t```\n- [PyPi](https://pypi.org/project/dpgen2) (📥 94 / month):\n\t```\n\tpip install dpgen2\n\t```\n- [Docker Hub](https://hub.docker.com/r/dptechnology/dpgen2) (📥 4.5K · ⏱️ 11.03.2026):\n\t```\n\tdocker pull dptechnology/dpgen2\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/APEX\"\u003eAPEX\u003c/a\u003e\u003c/b\u003e (🥈15 ·  ⭐ 45 · 💤) - APEX: Alloy Properties EXplorer using simulations. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/APEX) (👨‍💻 7 · 🔀 27 · 📦 4 · 📋 10 - 10% open · ⏱️ 10.04.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/APEX\n\t```\n- [PyPi](https://pypi.org/project/apex-flow) (📥 150 / month):\n\t```\n\tpip install apex-flow\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dpgui\"\u003eDP-GUI\u003c/a\u003e\u003c/b\u003e (🥈15 ·  ⭐ 9 · 💤) - A web-based GUI for user inputs. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dpgui) (👨‍💻 4 · 🔀 5 · 📦 13 · ⏱️ 26.08.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dpgui\n\t```\n- [PyPi](https://pypi.org/project/dpgui) (📥 68K / month):\n\t```\n\tpip install dpgui\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/jax-fem\"\u003eJAX-FEM\u003c/a\u003e\u003c/b\u003e (🥈14 ·  ⭐ 640) - Differentiable Finite Element Method with JAX. \u003ccode\u003e\u003ca href=\"http://bit.ly/2M0xdwT\"\u003eGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/jax-fem) (👨‍💻 17 · 🔀 110 · 📦 3 · 📋 71 - 35% open · ⏱️ 08.02.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/jax-fem\n\t```\n- [PyPi](https://pypi.org/project/jax-fem) (📥 620 / month):\n\t```\n\tpip install jax-fem\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/DeePTB\"\u003eDeePTB\u003c/a\u003e\u003c/b\u003e (🥈14 ·  ⭐ 100 · 📉) - DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/DeePTB) (👨‍💻 15 · 🔀 29 · 📦 4 · 📋 60 - 33% open · ⏱️ 19.03.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/DeePTB\n\t```\n- [PyPi](https://pypi.org/project/dptb) (📥 140 / month):\n\t```\n\tpip install dptb\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/DMFF\"\u003eDMFF\u003c/a\u003e\u003c/b\u003e (🥈13 ·  ⭐ 190) - DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable.. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/DMFF) (👨‍💻 17 · 🔀 46 · 📋 28 - 28% open · ⏱️ 07.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/DMFF\n\t```\n- [Conda](https://anaconda.org/conda-forge/dmff) (📥 3.1K · ⏱️ 22.04.2025):\n\t```\n\tconda install -c conda-forge dmff\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/rid-kit\"\u003erid-kit\u003c/a\u003e\u003c/b\u003e (🥉12 ·  ⭐ 52 · 💤) - Reinforced dynamics. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/rid-kit) (👨‍💻 14 · 🔀 25 · 📥 150 · 📦 2 · 📋 5 - 40% open · ⏱️ 31.03.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/rid-kit\n\t```\n- [PyPi](https://pypi.org/project/rid-kit) (📥 58 / month):\n\t```\n\tpip install rid-kit\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/GPUMD\"\u003eGPUMD\u003c/a\u003e\u003c/b\u003e (🥉12 ·  ⭐ 12) - Graphics Processing Units Molecular Dynamics. \u003ccode\u003e\u003ca href=\"http://bit.ly/2M0xdwT\"\u003eGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/GPUMD) (👨‍💻 57 · ⏱️ 27.03.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/GPUMD\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/deepmodeling_sphinx\"\u003edeepmodeling_sphinx\u003c/a\u003e\u003c/b\u003e (🥉12 ·  ⭐ 3) - Sphinx extension for DeepModeling projects. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/deepmodeling_sphinx) (👨‍💻 8 · 🔀 6 · ⏱️ 12.11.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/deepmodeling_sphinx\n\t```\n- [PyPi](https://pypi.org/project/deepmodeling_sphinx) (📥 2.4K / month):\n\t```\n\tpip install deepmodeling_sphinx\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dpti\"\u003edpti\u003c/a\u003e\u003c/b\u003e (🥉10 ·  ⭐ 35 · 💤) - A Python Package to Automate Thermodynamic Integration Calculations for Free Energy. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dpti) (👨‍💻 17 · 🔀 23 · 📦 2 · 📋 10 - 90% open · ⏱️ 15.03.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dpti\n\t```\n- [PyPi](https://pypi.org/project/dpti) (📥 25 / month):\n\t```\n\tpip install dpti\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/fealpy\"\u003efealpy\u003c/a\u003e\u003c/b\u003e (🥉10 ·  ⭐ 6 · 💤) - Finite Element Analysis Library in Python. \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/fealpy) (👨‍💻 69 · 🔀 2 · ⏱️ 28.04.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/fealpy\n\t```\n- [PyPi](https://pypi.org/project/fealpy) (📥 450 / month):\n\t```\n\tpip install fealpy\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/deepks-kit\"\u003eDeePKS-kit\u003c/a\u003e\u003c/b\u003e (🥉9 ·  ⭐ 120 · 💤) - a package for developing machine learning-based chemically accurate energy and density functional models. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/deepks-kit) (👨‍💻 7 · 🔀 36 · 📋 31 - 45% open · ⏱️ 28.04.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/deepks-kit\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/fpop\"\u003efpop\u003c/a\u003e\u003c/b\u003e (🥉9 ·  ⭐ 3 · 💤) -  \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/fpop) (👨‍💻 4 · 🔀 12 · 📦 15 · ⏱️ 01.07.2024):\n\n\t```\n\tgit clone https://github.com/deepmodeling/fpop\n\t```\n- [PyPi](https://pypi.org/project/fpop) (📥 340 / month):\n\t```\n\tpip install fpop\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/args\"\u003eargs\u003c/a\u003e\u003c/b\u003e (🥉9 ·  ⭐ 2) - DeepModeling dargs arguments generation. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/args) (👨‍💻 3 · 🔀 2 · 📦 5 · ⏱️ 15.12.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/args\n\t```\n- [npm](https://www.npmjs.com/package/@deepmodeling/args) (📥 32 / month):\n\t```\n\tnpm install @deepmodeling/args\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/AIS-Square\"\u003eAIS-Square\u003c/a\u003e\u003c/b\u003e (🥉8 ·  ⭐ 15) -  \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/AIS-Square) (👨‍💻 8 · 🔀 8 · 📋 6 - 83% open · ⏱️ 03.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/AIS-Square\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/blog\"\u003eBlog\u003c/a\u003e\u003c/b\u003e (🥉8 ·  ⭐ 3) - DeepModeling Blog. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/blog) (👨‍💻 11 · 🔀 10 · ⏱️ 04.02.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/blog\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/community\"\u003ecommunity\u003c/a\u003e\u003c/b\u003e (🥉7 ·  ⭐ 93) - DeepModeling community content. \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/community) (👨‍💻 20 · 🔀 24 · ⏱️ 25.12.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/community\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/Uni-Fold\"\u003eUni-Fold\u003c/a\u003e\u003c/b\u003e (🥉7 ·  ⭐ 93 · 💤) -  \u003ccode\u003e\u003ca href=\"http://bit.ly/3nYMfla\"\u003eApache-2\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/Uni-Fold) (👨‍💻 3 · 🔀 19 · ⏱️ 18.08.2022):\n\n\t```\n\tgit clone https://github.com/deepmodeling/Uni-Fold\n\t```\n- [Docker Hub](https://hub.docker.com/r/dptechnology/unifold) (📥 1.5K · ⏱️ 08.01.2024):\n\t```\n\tdocker pull dptechnology/unifold\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/tbplas\"\u003etbplas\u003c/a\u003e\u003c/b\u003e (🥉6 ·  ⭐ 17 · 💤) - Repository of TBPLaS (tight-binding package for large-scale simulation). \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/tbplas) (👨‍💻 10 · 🔀 6 · ⏱️ 17.01.2024):\n\n\t```\n\tgit clone https://github.com/deepmodeling/tbplas\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/tutorials\"\u003etutorials\u003c/a\u003e\u003c/b\u003e (🥉6 ·  ⭐ 16) - Tutorials for DeepModeling projects. \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/tutorials) (👨‍💻 12 · 🔀 24 · 📋 4 - 25% open · ⏱️ 11.03.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/tutorials\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/docs\"\u003edocs\u003c/a\u003e\u003c/b\u003e (🥉6 ·  ⭐ 3 · 💤) - The home page of DeepModeling documentation. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/docs) (👨‍💻 8 · 🔀 7 · ⏱️ 28.10.2024):\n\n\t```\n\tgit clone https://github.com/deepmodeling/docs\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/AI4Science101\"\u003eAI4Science101\u003c/a\u003e\u003c/b\u003e (🥉5 ·  ⭐ 100 · 💤) - AI for Science. \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/AI4Science101) (👨‍💻 5 · 🔀 16 · ⏱️ 04.09.2022):\n\n\t```\n\tgit clone https://github.com/deepmodeling/AI4Science101\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/ADMP\"\u003eADMP\u003c/a\u003e\u003c/b\u003e (🥉5 ·  ⭐ 3 · 💤) - Automatic Differentiation Multipole Moment Molecular Forcefield. \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/ADMP) (👨‍💻 7 · 🔀 3 · ⏱️ 15.02.2022):\n\n\t```\n\tgit clone https://github.com/deepmodeling/ADMP\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/DeepH-pack\"\u003eDeepH-pack\u003c/a\u003e\u003c/b\u003e (🥉4 ·  ⭐ 14 · 💤) - Deep neural networks for density functional theory Hamiltonian. \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/DeepH-pack) (👨‍💻 6 · 🔀 6 · 📋 6 - 66% open · ⏱️ 28.12.2023):\n\n\t```\n\tgit clone https://github.com/deepmodeling/DeepH-pack\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/DeePDih\"\u003eDeePDih\u003c/a\u003e\u003c/b\u003e (🥉4 ·  ⭐ 6 · 📉) - Deep Potential driven molecular dihedral scan toolkit. \u003ccode\u003e\u003ca href=\"http://bit.ly/34MBwT8\"\u003eMIT\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/DeePDih) (👨‍💻 2 · 🔀 3 · 📥 7 · ⏱️ 07.04.2026):\n\n\t```\n\tgit clone https://github.com/deepmodeling/DeePDih\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/tutorials-cn\"\u003etutorials-cn\u003c/a\u003e\u003c/b\u003e (🥉4 ·  ⭐ 6 · 💤) -  \u003ccode\u003e\u003ca href=\"https://tldrlegal.com/search?q=LGPL-2.1\"\u003eLGPL-2.1\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/tutorials-cn) (👨‍💻 4 · 🔀 8 · ⏱️ 29.12.2022):\n\n\t```\n\tgit clone https://github.com/deepmodeling/tutorials-cn\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/LibRI\"\u003eLibRI\u003c/a\u003e\u003c/b\u003e (🥉2 ·  ⭐ 6 · 💤) -  \u003ccode\u003e\u003ca href=\"http://bit.ly/2M0xdwT\"\u003eGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/LibRI) (👨‍💻 3 · 🔀 1 · 📋 3 - 66% open · ⏱️ 10.01.2025):\n\n\t```\n\tgit clone https://github.com/deepmodeling/LibRI\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/openfinite\"\u003eopenfinite\u003c/a\u003e\u003c/b\u003e (🥉1 ·  ⭐ 1 · 💤) -  \u003ccode\u003e\u003ca href=\"http://bit.ly/37RvQcA\"\u003eLGPL-3.0\u003c/a\u003e\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/openfinite) (👨‍💻 2 · 🔀 2 · ⏱️ 06.10.2021):\n\n\t```\n\tgit clone https://github.com/deepmodeling/openfinite\n\t```\n\u003c/details\u003e\n\u003cdetails\u003e\u003csummary\u003e\u003cb\u003e\u003ca href=\"https://github.com/deepmodeling/dflow-op-cutter\"\u003edflow-op-cutter\u003c/a\u003e\u003c/b\u003e (🥉-1 ·  ⭐ 1 · 💤) -  \u003ccode\u003eUnlicensed\u003c/code\u003e\u003c/summary\u003e\n\n- [GitHub](https://github.com/deepmodeling/dflow-op-cutter) (👨‍💻 2 · 🔀 2 · ⏱️ 06.07.2022):\n\n\t```\n\tgit clone https://github.com/deepmodeling/dflow-op-cutter\n\t```\n\u003c/details\u003e\n\n---\n\n## Related Resources\n\n- [**Best-of lists**](https://best-of.org): Discover other best-of lists with awesome open-source projects on all kinds of topics.\n\n## Contribution\n\nContributions are encouraged and always welcome! If you like to add or update projects, choose one of the following ways:\n\n- Open an issue by selecting one of the provided categories from the [issue page](https://github.com/deepmodeling/deepmodeling-projects/issues/new/choose) and fill in the requested information.\n- Modify the [projects.yaml](https://github.com/deepmodeling/deepmodeling-projects/blob/main/projects.yaml) with your additions or changes, and submit a pull request. This can also be done directly via the [Github UI](https://github.com/deepmodeling/deepmodeling-projects/edit/main/projects.yaml).\n\nIf you like to contribute to or share suggestions regarding the project metadata collection or markdown generation, please refer to the [best-of-generator](https://github.com/best-of-lists/best-of-generator) repository. If you like to create your own best-of list, we recommend to follow [this guide](https://github.com/best-of-lists/best-of/blob/main/create-best-of-list.md).\n\nFor more information on how to add or update projects, please read the [contribution guidelines](https://github.com/deepmodeling/deepmodeling-projects/blob/main/CONTRIBUTING.md). By participating in this project, you agree to abide by its [Code of Conduct](https://github.com/deepmodeling/deepmodeling-projects/blob/main/.github/CODE_OF_CONDUCT.md).\n\n## License\n\n[![CC0](https://mirrors.creativecommons.org/presskit/buttons/88x31/svg/by-sa.svg)](https://creativecommons.org/licenses/by-sa/4.0/)\n","created_at":"2024-07-21T00:00:22.390Z","updated_at":"2026-04-17T05:00:38.049Z","primary_language":null,"list_of_lists":false,"displayable":true,"categories":["License","Others","Contribution","Related Resources"],"sub_categories":[],"projects_url":"https://awesome.ecosyste.ms/api/v1/lists/deepmodeling%2Fdeepmodeling-projects/projects"}