{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"spyrmsd","owner":"bigginlab","isFork":true,"description":"📐 Symmetry-corrected RMSD in Python","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":3,"forksCount":7,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-05T20:25:25.878Z"}},{"type":"Public","name":"ABFE_workflow","owner":"bigginlab","isFork":false,"description":"This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":6,"starsCount":42,"forksCount":13,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-30T07:27:00.734Z"}},{"type":"Public","name":"AEV-PLIG","owner":"bigginlab","isFork":true,"description":"Fork of the AEV-PLIG Repo","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-26T15:16:42.885Z"}},{"type":"Public","name":"bee_alpha5","owner":"bigginlab","isFork":true,"description":"Simulation data for \"Characterization of a novel nicotinic acetylcholine receptor subtype preferentially sensitive to biogenic amines\"","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-17T14:26:11.397Z"}},{"type":"Public","name":"PyCEC","owner":"bigginlab","isFork":true,"description":"PyCEC","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-11T17:16:45.820Z"}},{"type":"Public","name":"NoiseEstimator","owner":"bigginlab","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-05-30T17:33:08.201Z"}},{"type":"Public","name":"PoreAnalyser","owner":"bigginlab","isFork":true,"description":"PoreAnalyser is package written by <a class=\"user-mention\" data-hovercard-type=\"user\" data-hovercard-url=\"/users/DSeiferth/hovercard\" data-octo-click=\"hovercard-link-click\" data-octo-dimensions=\"link_type:self\" href=\"https://github.com/DSeiferth\">@DSeiferth</a> that expands HOLE results to consider asymmetry and estimate conductance","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":1,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-23T14:02:17.919Z"}},{"type":"Public","name":"PyMEMENTO","owner":"bigginlab","isFork":true,"description":"PyMEMENTO","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":4,"license":"GNU Lesser General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-19T15:39:42.321Z"}},{"type":"Public","name":"aescore","owner":"bigginlab","isFork":true,"description":"Learning Protein-Ligand Properties with Atomic Environment Vectors","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":9,"forksCount":13,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-19T15:37:15.973Z"}},{"type":"Public","name":"WaterDock_pymol","owner":"bigginlab","isFork":false,"description":"pymol implementation of WaterDock with Akshay Sridhar (<a class=\"user-mention\" data-hovercard-type=\"user\" data-hovercard-url=\"/users/akshay-sridhar/hovercard\" data-octo-click=\"hovercard-link-click\" data-octo-dimensions=\"link_type:self\" href=\"https://github.com/akshay-sridhar\">@akshay-sridhar</a>) and refactoring work by Patrick McCubbin (<a class=\"user-mention\" data-hovercard-type=\"user\" data-hovercard-url=\"/users/mccubbinp/hovercard\" data-octo-click=\"hovercard-link-click\" data-octo-dimensions=\"link_type:self\" href=\"https://github.com/mccubbinp\">@mccubbinp</a>)","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":10,"forksCount":7,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-25T14:16:15.805Z"}},{"type":"Public","name":"WaterDock-2.0","owner":"bigginlab","isFork":false,"description":" WaterDock-2.0 implementation with Akshay Sridhar","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":1,"starsCount":14,"forksCount":8,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-11-02T09:07:15.067Z"}},{"type":"Public","name":"Macroconf","owner":"bigginlab","isFork":true,"description":"MacroConf Dataset &amp; Workflows to Assess Cyclic Peptide Solution Structures","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":3,"forksCount":1,"license":"GNU General Public License v2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-21T15:39:28.823Z"}},{"type":"Public","name":"TB5-IntroductionToPython","owner":"bigginlab","isFork":false,"description":"Notebook contents for the TB5 Introduction to Python course","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":1,"starsCount":0,"forksCount":0,"license":"Creative Commons Attribution Share Alike 4.0 International","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-02-17T14:38:09.738Z"}},{"type":"Public","name":"anion-polarization","owner":"bigginlab","isFork":true,"description":"Effects of induced polarization on the nanoscale behaviour of anions in synthetic carriers","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-02-01T18:16:19.671Z"}},{"type":"Public","name":"OxCompBio","owner":"bigginlab","isFork":false,"description":"Materials for the oxford computational biochemistry course including python","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":21,"starsCount":38,"forksCount":18,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-12-13T13:47:47.266Z"}},{"type":"Public","name":"nav-alt-splice","owner":"bigginlab","isFork":false,"description":"Code from Will Glass for Voltage-gated Sodium channel analysis","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-03-21T09:41:22.966Z"}},{"type":"Public","name":"fragment-opt-abfe-benchmark","owner":"bigginlab","isFork":true,"description":"Benchmark set for absolute binding free energy calculations of fragment optimisations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":4,"forksCount":2,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-01-28T11:30:32.042Z"}},{"type":"Public","name":"rocklinc","owner":"bigginlab","isFork":true,"description":"A python module for performing Rocklin Correction.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-12-11T17:00:41.057Z"}},{"type":"Public","name":"chap","owner":"bigginlab","isFork":true,"description":"CHAP is a tool for the functional annotation of ion channel structures:","allTopics":[],"primaryLanguage":{"name":"C++","color":"#f34b7d"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":10,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-12-09T15:43:24.546Z"}},{"type":"Public","name":"alchemicalitp","owner":"bigginlab","isFork":false,"description":"mirror of alchemicalitp from <a class=\"user-mention\" data-hovercard-type=\"user\" data-hovercard-url=\"/users/xiki-tempula/hovercard\" data-octo-click=\"hovercard-link-click\" data-octo-dimensions=\"link_type:self\" href=\"https://github.com/xiki-tempula\">@xiki-tempula</a>\n","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":1,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-01-05T14:20:44.302Z"}},{"type":"Public","name":"Bookshelf","owner":"bigginlab","isFork":false,"description":"Bookshelf - a simple tool to help manage trajectory data.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-01-05T12:04:50.510Z"}},{"type":"Public","name":"OxCompBio-Datafiles","owner":"bigginlab","isFork":false,"description":"Datafiles for the MD tutorial of the OxCompBio course (for ARCUS use only)","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-12-15T14:21:46.393Z"}},{"type":"Public","name":"protein_orientation","owner":"bigginlab","isFork":false,"description":"Mirror of Will Glass (github.com/WG150)'s code for protein orientation as recently published in Computational Investigation of Voltage-Gated Sodium Channel β3 Subunit Dynamics. Glass et al. Front Mol Biosci. 2020;7:40. ","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-05-06T15:09:23.678Z"}},{"type":"Public","name":"lintools","owner":"bigginlab","isFork":true,"description":"Python script that creates 2D protein-ligand interaction images","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":2,"issueCount":5,"starsCount":2,"forksCount":13,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2019-06-20T12:16:23.143Z"}},{"type":"Public","name":"lintools-laura-domicevica-mirror","owner":"bigginlab","isFork":false,"description":"Mirror of the LINTools package with Laura Domicevica","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2016-07-20T07:36:42.063Z"}}],"repositoryCount":25,"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":"bigginlab repositories"}