{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"fande","owner":"chem-gp","isFork":false,"description":"Fitting molecular Energies, Forces and Chemical shifts and Chemical Discovery with Scalable Gaussian Processes by Stochastic Variational Inference ","allTopics":["machine-learning","energy","soap","molecular-dynamics-simulation","gaussian-processes","forces","chemical-shifts","stochastic-variational-inference","chemical-physics","chemical-network-discovery"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-06T09:36:11.063Z"}},{"type":"Public","name":"artificial-rotors","owner":"chem-gp","isFork":false,"description":"Artificial force rotations for fast sampling of the rotational energy profiles of molecular systems by structure optimization and molecular dynamics","allTopics":["energy","dynamics","optimization-methods","lforces"],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-02-22T08:14:47.447Z"}},{"type":"Public","name":"librascal","owner":"chem-gp","isFork":true,"description":"A scalable and versatile library to generate representations for atomic-scale learning","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":20,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-03T07:55:26.347Z"}},{"type":"Public","name":"i-pi","owner":"chem-gp","isFork":true,"description":"i-PI: a universal force engine","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":116,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-05-12T08:39:58.605Z"}},{"type":"Public","name":"pw-benchmarks","owner":"chem-gp","isFork":false,"description":"Benchmark studies for the plane wave calculations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-03-10T05:42:47.438Z"}},{"type":"Public","name":"saddle-dynamics","owner":"chem-gp","isFork":false,"description":"GP-aided saddle-point molecular dynamics ","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":1,"starsCount":0,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-10-18T02:11:01.821Z"}},{"type":"Public","name":".github","owner":"chem-gp","isFork":false,"description":"","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-10-14T03:45:06.504Z"}},{"type":"Public","name":"examples","owner":"chem-gp","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-06-06T03:23:23.344Z"}}],"repositoryCount":8,"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":"chem-gp repositories"}