{"payload":{"pageCount":2,"repositories":[{"type":"Public","name":"coconut","owner":"Steinbeck-Lab","isFork":false,"description":"COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, and services for deposition, curation, and reuse.","allTopics":["cheminformatics","natural-products"],"primaryLanguage":{"name":"PHP","color":"#4F5D95"},"pullRequestCount":0,"issueCount":54,"starsCount":4,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-09T17:45:12.854Z"}},{"type":"Public","name":"cheminformatics-microservice","owner":"Steinbeck-Lab","isFork":false,"description":"This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics.","allTopics":["docker","chemistry","cheminformatics","microservices-architecture","fastapi-boilerplate"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":17,"starsCount":28,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-02T13:44:48.282Z"}},{"type":"Public","name":"AutoNMR-An-Automated-Tool-for-NMR-Chemical-Shift-Calculations-using-NWChem","owner":"Steinbeck-Lab","isFork":true,"description":"AutoNMR is a novel Python package designed to streamline and automate the workflow of NMR chemical shift calculations using NWChem.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,36,2,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-20T14:43:12.710Z"}},{"type":"Public","name":"cdk","owner":"Steinbeck-Lab","isFork":true,"description":"The Chemistry Development Kit","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":157,"license":"GNU Lesser General Public License v2.1","participation":[0,2,1,0,4,1,0,2,0,0,1,6,5,2,2,0,2,0,3,6,2,0,7,2,16,20,1,2,0,1,0,1,0,1,12,0,0,0,0,12,9,1,1,17,3,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-01T06:56:48.174Z"}},{"type":"Public","name":"nmrium","owner":"Steinbeck-Lab","isFork":true,"description":"React component to display and process nuclear magnetic resonance (NMR) spectra.","allTopics":[],"primaryLanguage":{"name":"TypeScript","color":"#3178c6"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":25,"license":"MIT License","participation":[15,20,7,5,3,12,1,3,11,1,8,4,7,24,2,0,1,11,10,10,20,13,3,18,0,9,10,17,2,14,2,6,6,5,7,8,2,10,8,5,0,24,17,9,9,14,1,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-30T08:19:02.961Z"}},{"type":"Public","name":"ART2a-Clustering-for-Java","owner":"Steinbeck-Lab","isFork":true,"description":"Implementation of the ART2a fingerprint clustering algorithm in Java.","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"MIT License","participation":[0,0,0,0,0,0,0,1,0,0,0,0,3,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-03T09:03:56.260Z"}},{"type":"Public","name":"ErtlFunctionalGroupsFinder","owner":"Steinbeck-Lab","isFork":true,"description":"Open reimplementation of the Ertl algorithm for functional group identification based on the Chemistry Development Kit (CDK)","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":6,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-03T09:03:32.840Z"}},{"type":"Public","name":"MORTAR","owner":"Steinbeck-Lab","isFork":true,"description":"MOlecule fRagmenTAtion fRamework","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":"MIT License","participation":[0,0,0,0,0,3,0,2,0,0,0,0,0,0,4,0,0,0,0,0,0,4,6,34,14,28,11,15,7,22,19,22,10,6,6,0,2,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-03T09:01:53.455Z"}},{"type":"Public","name":"SugarRemoval","owner":"Steinbeck-Lab","isFork":true,"description":"The Sugar Removal Utility - An algorithmic approach for in silico removal of circular and linear sugars from molecular structures.","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"MIT License","participation":[0,0,0,0,0,0,0,22,0,1,0,0,0,0,2,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-03T09:01:04.302Z"}},{"type":"Public","name":"toolminutes","owner":"Steinbeck-Lab","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"JavaScript","color":"#f1e05a"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":5,"license":null,"participation":[0,0,0,3,0,0,3,0,7,2,0,0,0,2,0,0,0,0,0,0,0,2,0,0,0,1,1,0,0,0,1,2,0,0,14,3,2,11,7,138,5,3,0,0,0,0,0,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-02T11:40:55.180Z"}},{"type":"Public","name":"ChemIcal-DatasEt-comparatoR","owner":"Steinbeck-Lab","isFork":false,"description":"ChemIcal DatasEt comparatoR (CIDER) is a Python package and ready-to-use Jupyter Notebook workflow which primarily utilizes RDKit to compare two or more chemical structure datasets (SD files) in different aspects, e.g. size, overlap, molecular descriptor distributions, chemical space clustering, etc., most of which can be visually inspected.","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":2,"issueCount":1,"starsCount":7,"forksCount":4,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-02T07:52:19.332Z"}},{"type":"Public","name":"DECIMER.ai","owner":"Steinbeck-Lab","isFork":true,"description":"This repository contains the code for https://decimer.ai","allTopics":[],"primaryLanguage":{"name":"JavaScript","color":"#f1e05a"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":8,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-14T15:00:47.041Z"}},{"type":"Public","name":"DECIMER-Image-Segmentation","owner":"Steinbeck-Lab","isFork":true,"description":"https://decimer.ai","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":29,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-04T12:59:16.263Z"}},{"type":"Public","name":"DECIMER-Image_Transformer","owner":"Steinbeck-Lab","isFork":true,"description":"DECIMER 1.0: Deep Learning for Chemical Image Recognition using Transformers","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":0,"starsCount":1,"forksCount":50,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-04T12:57:38.143Z"}},{"type":"Public","name":"classify_homologues","owner":"Steinbeck-Lab","isFork":true,"description":"A cheminformatics algorithm to classify homologous chemical series","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":5,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-30T13:49:29.846Z"}},{"type":"Public","name":"GlycosylationStatistics","owner":"Steinbeck-Lab","isFork":true,"description":"Systematic detection of sugar moieties in COCONUT using the Sugar Removal Utility","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-24T12:36:37.073Z"}},{"type":"Public","name":"scaffold-graph-vis","owner":"Steinbeck-Lab","isFork":true,"description":"Basic utilities for visualising cdk-scaffold graphs using GraphStream","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-12-19T11:30:10.933Z"}},{"type":"Public","name":"FragmentFingerprints","owner":"Steinbeck-Lab","isFork":true,"description":"A library to generate fingerprints for molecular structures based on a set of fragments","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-12-19T11:23:27.997Z"}},{"type":"Public","name":"ScaffoldGenerator","owner":"Steinbeck-Lab","isFork":true,"description":"A CDK-based library for generating Scaffold Trees and Scaffold Networks","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":6,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-11-03T15:36:11.662Z"}},{"type":"Public","name":"cloud-surge","owner":"Steinbeck-Lab","isFork":false,"description":"Massively parallel computation of chemical spaces in cloud environments with surge","allTopics":["cheminformatics","drug-discovery","kubernetes-jobs","chemical-spaces","chemical-structure-generator","new-drug-research"],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":1,"issueCount":1,"starsCount":1,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-10-13T14:46:02.592Z"}},{"type":"Public","name":"NaturalProductsOnline","owner":"Steinbeck-Lab","isFork":true,"description":"Website code for COCONUT","allTopics":[],"primaryLanguage":{"name":"JavaScript","color":"#f1e05a"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":11,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-10-04T09:01:27.356Z"}},{"type":"Public","name":"Smiles-TO-iUpac-Translator","owner":"Steinbeck-Lab","isFork":true,"description":"NMT based SMILES to IUPAC Translator","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":24,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-14T10:27:45.885Z"}},{"type":"Public","name":"cheminformatics-be","owner":"Steinbeck-Lab","isFork":true,"description":"Cheminformatics browser extension brings a suite of powerful tools and features directly to your web pages.","allTopics":[],"primaryLanguage":{"name":"Vue","color":"#41b883"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-14T10:27:30.885Z"}},{"type":"Public","name":"RanDepict","owner":"Steinbeck-Lab","isFork":true,"description":"This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction styles and image augmentations) based on RDKit, CDK, Indigo and PIKAChU.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":9,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-14T10:26:43.393Z"}},{"type":"Public","name":"lightweight-registration","owner":"Steinbeck-Lab","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":14,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-29T14:04:02.781Z"}},{"type":"Public","name":"chemical_page_segmentation_dataset","owner":"Steinbeck-Lab","isFork":true,"description":"Artificial data generation for DECIMER-Segmentation","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-22T13:10:30.323Z"}},{"type":"Public","name":"MAW","owner":"Steinbeck-Lab","isFork":true,"description":"Metabolome Annotation Workflow","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":8,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-03T08:44:28.750Z"}},{"type":"Public","name":"NMR_Chemical_Shift-Automation","owner":"Steinbeck-Lab","isFork":true,"description":"Automated NMR Chemical Shift Calculation","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-24T08:25:15.740Z"}},{"type":"Public","name":"sherlock","owner":"Steinbeck-Lab","isFork":true,"description":"Web Services for Computer-Assisted Structure Elucidation (CASE)","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-22T05:53:38.054Z"}},{"type":"Public","name":"casekit","owner":"Steinbeck-Lab","isFork":true,"description":"Computational library for Computer-Assisted Structure Elucidation (CASE).","allTopics":[],"primaryLanguage":{"name":"Java","color":"#b07219"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":"GNU Lesser General Public License v2.1","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-22T05:53:13.652Z"}}],"repositoryCount":50,"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":"Steinbeck-Lab repositories"}