{"payload":{"pageCount":3,"repositories":[{"type":"Public","name":"openff-nagl","owner":"openforcefield","isFork":false,"description":"OpenFF NAGL","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":2,"issueCount":8,"starsCount":10,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-19T11:45:18.833Z"}},{"type":"Public","name":"openforcefield.org","owner":"openforcefield","isFork":false,"description":"Hugo website source for openforcefield.org","allTopics":["website","hugo","kube","openforcefield"],"primaryLanguage":{"name":"JavaScript","color":"#f1e05a"},"pullRequestCount":1,"issueCount":9,"starsCount":7,"forksCount":14,"license":null,"participation":[8,2,0,0,0,0,0,7,0,0,0,0,0,30,7,0,0,0,0,0,0,0,0,0,0,3,0,0,0,5,0,0,0,0,0,6,0,0,0,7,0,1,0,0,0,0,0,1,0,0,1,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-19T09:21:10.589Z"}},{"type":"Public","name":"sage-2.2.1","owner":"openforcefield","isFork":false,"description":"Repository for re-fitting Sage 2.2.1","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-19T08:26:48.600Z"}},{"type":"Public","name":"alchemiscale-fah","owner":"openforcefield","isFork":false,"description":"protocols and compute service for using alchemiscale with Folding@Home","allTopics":[],"primaryLanguage":{"name":"Dockerfile","color":"#384d54"},"pullRequestCount":1,"issueCount":6,"starsCount":2,"forksCount":0,"license":"MIT License","participation":[0,0,0,0,0,0,0,0,0,3,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-19T05:19:09.297Z"}},{"type":"Public","name":"openff-nagl-models","owner":"openforcefield","isFork":false,"description":"This repository contains NAGL models released by the Open Force Field Initiative. They are intended to be used by OpenFF NAGL.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":2,"issueCount":0,"starsCount":2,"forksCount":0,"license":"Creative Commons Attribution 4.0 International","participation":[0,0,0,2,0,8,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,8,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-19T04:15:11.075Z"}},{"type":"Public","name":"openff-qcsubmit","owner":"openforcefield","isFork":false,"description":"Automated tools for submitting molecules to QCFractal","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":7,"issueCount":33,"starsCount":26,"forksCount":4,"license":"MIT License","participation":[4,0,1,19,0,0,0,1,0,0,1,0,2,0,1,1,9,0,0,1,0,4,3,1,0,1,3,3,0,0,0,1,0,0,3,1,1,3,0,4,0,0,0,0,0,0,0,0,2,0,3,1],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-19T00:19:31.898Z"}},{"type":"Public","name":"alchemiscale","owner":"openforcefield","isFork":false,"description":"a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":12,"issueCount":65,"starsCount":22,"forksCount":8,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-18T20:46:53.756Z"}},{"type":"Public","name":"openff-docs","owner":"openforcefield","isFork":false,"description":"Documentation for the Open Force Field ecosystem","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":2,"issueCount":9,"starsCount":0,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-18T13:17:05.696Z"}},{"type":"Public","name":"qca-dataset-submission","owner":"openforcefield","isFork":false,"description":"Data generation and submission scripts for the QCArchive ecosystem.","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":1,"issueCount":59,"starsCount":26,"forksCount":5,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-17T21:55:38.673Z"}},{"type":"Public","name":"openff-interchange","owner":"openforcefield","isFork":false,"description":"A project (and object) for storing, manipulating, and converting molecular mechanics data.","allTopics":["openmm","interoperability","molecular-simulation","lammps","gromacs","amber","forcefield"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":7,"issueCount":91,"starsCount":67,"forksCount":21,"license":"MIT License","participation":[3,24,12,20,17,5,18,1,8,2,15,17,11,14,9,4,13,11,6,1,1,9,1,5,1,4,11,20,24,27,15,11,23,7,31,14,23,16,9,16,14,3,3,5,6,2,2,8,0,0,3,7],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-17T18:40:16.368Z"}},{"type":"Public","name":"openff-bespokefit","owner":"openforcefield","isFork":false,"description":"Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":5,"issueCount":47,"starsCount":57,"forksCount":9,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-17T17:02:38.229Z"}},{"type":"Public","name":"openff-toolkit","owner":"openforcefield","isFork":false,"description":"The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at <a href=\"http://open-forcefield-toolkit.readthedocs.io\" rel=\"nofollow\">http://open-forcefield-toolkit.readthedocs.io</a>","allTopics":["molecular-dynamics","openmm","amber","force-fields","molecular-mechanics","forcefield","chemical-environment-perception","smirnoff-force-field","nsf-grant-che-1738979","forcefield-parameterization","open-force-field-consortium"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":9,"issueCount":222,"starsCount":301,"forksCount":88,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-17T16:47:33.541Z"}},{"type":"Public","name":"proteinbenchmark","owner":"openforcefield","isFork":false,"description":"Benchmarks for OpenFF protein force fields","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":4,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-16T20:14:37.817Z"}},{"type":"Public","name":".github","owner":"openforcefield","isFork":false,"description":"","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-15T23:15:55.843Z"}},{"type":"Public","name":"openff-evaluator","owner":"openforcefield","isFork":false,"description":"A physical property evaluation toolkit from the Open Forcefield Consortium.","allTopics":["validation","openmm","assessment","force-field","physical-properties","forcefield","openforcefield","thermoml"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":5,"issueCount":22,"starsCount":51,"forksCount":18,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-15T15:40:02.133Z"}},{"type":"Public","name":"openff-recharge","owner":"openforcefield","isFork":false,"description":"An automated framework for generating optimized partial charges for molecules","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":5,"starsCount":31,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-09T13:19:58.539Z"}},{"type":"Public","name":"smirnoff-plugins","owner":"openforcefield","isFork":false,"description":"Plugins to enable using custom functional forms in SMIRNOFF based force fields","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":0,"starsCount":8,"forksCount":6,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T21:53:28.140Z"}},{"type":"Public","name":"status","owner":"openforcefield","isFork":false,"description":"Assorted maintenance tools within the Open Force Field software stack","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":2,"issueCount":8,"starsCount":7,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T17:11:40.117Z"}},{"type":"Public","name":"2023-workshop-vignettes","owner":"openforcefield","isFork":false,"description":"Point-in-time demonstrations of OpenFF capabilities in 2023","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T15:34:40.766Z"}},{"type":"Public","name":"openff-units","owner":"openforcefield","isFork":false,"description":"A common units module for the OpenFF software stack","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":2,"issueCount":4,"starsCount":6,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T15:31:36.009Z"}},{"type":"Public","name":"openff-fragmenter","owner":"openforcefield","isFork":false,"description":"Fragment molecules for quantum mechanics torsion scans","allTopics":["force-field","forcefield","nsf-grant-che-1738979","forcefield-parameterization"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":5,"starsCount":41,"forksCount":13,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T15:11:55.022Z"}},{"type":"Public","name":"openff-forcefields","owner":"openforcefield","isFork":false,"description":"Force fields produced by the Open Force Field Initiative","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":7,"starsCount":121,"forksCount":23,"license":"Creative Commons Attribution 4.0 International","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T14:59:03.020Z"}},{"type":"Public","name":"openff-models","owner":"openforcefield","isFork":false,"description":"Helper classes for Pydantic compatibility in the OpenFF stack","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":3,"issueCount":6,"starsCount":3,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T14:57:11.222Z"}},{"type":"Public","name":"openff-utilities","owner":"openforcefield","isFork":false,"description":"A collection of miscellaneous utility functions used throughout the OpenFF stack","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-08T14:56:46.057Z"}},{"type":"Public","name":"symposium_2024_demo","owner":"openforcefield","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-02T19:01:10.792Z"}},{"type":"Public","name":"protein-ligand-benchmark","owner":"openforcefield","isFork":false,"description":"Protein-Ligand Benchmark Dataset for Free Energy Calculations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":4,"issueCount":47,"starsCount":135,"forksCount":14,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-01T14:11:23.293Z"}},{"type":"Public","name":"yammbs","owner":"openforcefield","isFork":false,"description":"Internal tool for benchmarking force fields","allTopics":["force-fields","molecular-modeling"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":3,"starsCount":3,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-17T21:35:54.785Z"}},{"type":"Public","name":"standards","owner":"openforcefield","isFork":false,"description":"A repository of the standards employed across the Open Force Field Consortium.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":4,"issueCount":21,"starsCount":1,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-05-31T15:47:15.492Z"}},{"type":"Public","name":"sage-2.2.0","owner":"openforcefield","isFork":false,"description":"Repository for re-fitting Sage 2.2.0","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":1,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-05-03T20:42:46.446Z"}},{"type":"Public","name":"smirnoff99Frosst","owner":"openforcefield","isFork":false,"description":"A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":15,"starsCount":28,"forksCount":9,"license":"Creative Commons Attribution 4.0 International","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-08T14:00:57.358Z"}}],"repositoryCount":70,"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":"openforcefield repositories"}