{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"torchani","owner":"aiqm","isFork":false,"description":"Accurate Neural Network Potential on PyTorch","topicNames":["deep-learning","neural-network","quantum-mechanics","molecular-simulation","quantum-chemistry","force-field"],"topicsNotShown":0,"allTopics":["deep-learning","neural-network","quantum-mechanics","molecular-simulation","quantum-chemistry","force-field"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":2,"issueCount":21,"starsCount":432,"forksCount":120,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-27T06:30:22.098Z"}},{"type":"Public","name":"torchani-test-docs","owner":"aiqm","isFork":false,"description":"This is a testing repository for CI scripts of torchani","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-21T00:05:35.644Z"}},{"type":"Public","name":"ANI1x_datasets","owner":"aiqm","isFork":false,"description":"The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":0,"issueCount":4,"starsCount":51,"forksCount":5,"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":"2022-04-11T17:25:55.088Z"}},{"type":"Public","name":"Scripts_for_ani2x_jtct_paper","owner":"aiqm","isFork":false,"description":"Scripts to generate the results from the ANI-2x paper.","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":1,"issueCount":1,"starsCount":2,"forksCount":1,"license":null,"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":"2021-04-19T15:42:49.701Z"}},{"type":"Public","name":"EHM-ML","owner":"aiqm","isFork":false,"description":"","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"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":"2021-04-15T02:34:23.628Z"}},{"type":"Public","name":"nnp","owner":"aiqm","isFork":false,"description":"Common tools for PyTorch based neural network potentials","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":3,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-06-17T00:36:36.272Z"}},{"type":"Public","name":"nnp-test-docs","owner":"aiqm","isFork":false,"description":"Tesing docs for nnp","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"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":"2020-06-17T00:18:50.648Z"}},{"type":"Public","name":"ani-model-zoo","owner":"aiqm","isFork":false,"description":"","topicNames":[],"topicsNotShown":0,"allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":1,"starsCount":2,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-06-11T05:35:22.246Z"}},{"type":"Public","name":"aimnet","owner":"aiqm","isFork":false,"description":"Atoms In Molecules Neural Network Potential","topicNames":["deep-learning","neural-network","chemistry","quantum-mechanics","molecular-dynamics","molecular-simulation","quantum-chemistry","molecular-modeling"],"topicsNotShown":0,"allTopics":["deep-learning","neural-network","chemistry","quantum-mechanics","molecular-dynamics","molecular-simulation","quantum-chemistry","molecular-modeling"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":4,"starsCount":86,"forksCount":25,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-11-21T23:49:01.516Z"}}],"repositoryCount":9,"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"}