{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"nequip","owner":"mir-group","isFork":false,"description":"NequIP is a code for building E(3)-equivariant interatomic potentials","allTopics":["machine-learning","molecular-dynamics","computational-chemistry","drug-discovery","materials-science","atomistic-simulations","force-fields","interatomic-potentials","deep-learning","pytorch"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":3,"issueCount":23,"starsCount":540,"forksCount":123,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-05-31T03:15:55.621Z"}},{"type":"Public","name":"allegro","owner":"mir-group","isFork":false,"description":"Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials","allTopics":["deep-learning","molecular-dynamics","pytorch","computational-chemistry","drug-discovery","materials-science","atomistic-simulations","force-fields","interatomic-potentials","machine-learning"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":16,"starsCount":288,"forksCount":43,"license":"MIT License","participation":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-05-10T23:30:02.352Z"}},{"type":"Public","name":"CiderPressLite","owner":"mir-group","isFork":false,"description":"\"alpha\" release of 2023 CIDER functionals, with interfaces to PySCF and GPAW","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":4,"forksCount":1,"license":"GNU General Public License v3.0","participation":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,6,3,0,0,0,0,0,0,0,3,0,1,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-05-10T19:44:46.208Z"}},{"type":"Public","name":"flare","owner":"mir-group","isFork":false,"description":"An open-source Python package for creating fast and accurate interatomic potentials.","allTopics":["kokkos"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":6,"issueCount":30,"starsCount":271,"forksCount":62,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-21T21:24:24.151Z"}},{"type":"Public","name":"CiderPress2022","owner":"mir-group","isFork":false,"description":"Tools for training and evaluating CIDER functionals for use in Density Functional Theory calculations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":1,"starsCount":9,"forksCount":4,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-05T19:45:17.021Z"}},{"type":"Public","name":"nequip-example-extension","owner":"mir-group","isFork":false,"description":"Example of how to implement an extension package to the `nequip` framework with custom loss terms, model components, etc.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":5,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-10-27T20:35:35.872Z"}},{"type":"Public","name":"labutil","owner":"mir-group","isFork":true,"description":"Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":10,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-03-27T17:24:37.222Z"}},{"type":"Public","name":"pytorch_runstats","owner":"mir-group","isFork":false,"description":"Running/online statistics for PyTorch","allTopics":["machine-learning","metrics","pytorch"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":0,"starsCount":2,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-03-20T21:59:23.631Z"}},{"type":"Public","name":"NDSimulator","owner":"mir-group","isFork":false,"description":"An open-source python code for simple N-dimensional molecular dynamics and enhanced samplings","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-05-28T20:14:30.392Z"}},{"type":"Public","name":"PyfileUtils","owner":"mir-group","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-03-28T22:15:19.414Z"}},{"type":"Public","name":"BRAVE","owner":"mir-group","isFork":false,"description":"Bloch Representation Analysis and Visualization Environment","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":1,"starsCount":7,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-03-19T00:52:05.137Z"}},{"type":"Public","name":"MLmtCV","owner":"mir-group","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":1,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-03-11T21:31:58.113Z"}},{"type":"Public","name":"surfator","owner":"mir-group","isFork":false,"description":"\"Atomic democracy\" for site analysis of surfaces and bulks with known lattice structure(s).","allTopics":["molecular-dynamics","materials-science","site-analysis","molecular-dynamics-analysis"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-02-08T23:11:14.892Z"}},{"type":"Public","name":"md","owner":"mir-group","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-04-03T20:43:20.981Z"}}],"repositoryCount":14,"userInfo":null,"searchable":true,"definitions":[],"typeFilters":[{"id":"all","text":"All"},{"id":"public","text":"Public"},{"id":"source","text":"Sources"},{"id":"fork","text":"Forks"},{"id":"archived","text":"Archived"},{"id":"template","text":"Templates"}],"compactMode":false},"title":"Repositories"}