{"payload":{"pageCount":1,"repositories":[{"type":"Public","name":"TwoBondChem","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-17T13:33:26.084Z"}},{"type":"Public","name":"Diamond-Energy-III","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-06T20:39:18.612Z"}},{"type":"Public","name":"Diamond-Energy-II","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-06T20:38:52.310Z"}},{"type":"Public","name":"Diamond_energy","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-06T20:36:59.280Z"}},{"type":"Public","name":"IR.Cai","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-05T06:26:38.824Z"}},{"type":"Public","name":"DP4-star","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-07-05T06:24:28.501Z"}},{"type":"Public","name":"CSearch_alignmol","owner":"Goodman-lab","isFork":false,"description":"Processing macromodel output file with alignmol function from RDkit","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-21T11:58:26.117Z"}},{"type":"Public","name":"VRAI-selectivity","owner":"Goodman-lab","isFork":true,"description":"Codes from VRAI-selectivity: calculation of selectivity beyond transition state theory publication [S. Lee and J. M. Goodman, Org. Biomol. Chem., 2021, 19, 3940-3947]","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-21T11:55:55.929Z"}},{"type":"Public","name":"Script_im","owner":"Goodman-lab","isFork":false,"description":"Scripts for computational investigations of large and flexible chemical systems based on the conformation labelling system, ONIOM calculations in Python 3","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":3,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-21T11:53:48.163Z"}},{"type":"Public","name":"DP5","owner":"Goodman-lab","isFork":false,"description":"Python workflow for DP5 and DP4 analysis of organic molecules","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":5,"issueCount":17,"starsCount":173,"forksCount":99,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-12-01T12:05:22.523Z"}},{"type":"Public","name":"InChiMarkush","owner":"Goodman-lab","isFork":false,"description":"A tool to deconstruct MarkInChi codes. It only understands a small subset of a draft of a MarkInChI syntax, and does not make use of the pseudo-element facility (Zz) of InChI v1.06","allTopics":["python","chemistry","inchi","inchi-key"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-11-29T10:34:15.265Z"}},{"type":"Public","name":"CONFPASS","owner":"Goodman-lab","isFork":false,"description":"Conformer Prioritizations & Analysis for DFT reoptimisations","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":4,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-02T14:28:00.651Z"}},{"type":"Public","name":"Knowledge_transfer_with_Tanimoto_similarity","owner":"Goodman-lab","isFork":false,"description":"Code for the paper - Quantifying applicability domain transferability using Tanimoto similarity: a toxicological perspective","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-31T10:50:06.225Z"}},{"type":"Public","name":"DART-project","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-31T10:45:34.536Z"}},{"type":"Public","name":"ames_interpretability","owner":"Goodman-lab","isFork":true,"description":"Uncertainty aware and explainable Bayesian neural network for prediction of Ames mutagenicity","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-29T17:17:03.137Z"}},{"type":"Public","name":"MIE_atlas","owner":"Goodman-lab","isFork":true,"description":"Modelling pipeline for predicting molecular initiating events","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-29T15:13:09.209Z"}},{"type":"Public","name":"InChiQRCodes","owner":"Goodman-lab","isFork":false,"description":"A website which converts an InChI key for a chemical into a QR code which directs to its relevant PubChem page","allTopics":["python","chemistry","qrcode-generator","inchi","inchi-key"],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-02-02T19:58:13.089Z"}},{"type":"Public","name":"DP4-AI","owner":"Goodman-lab","isFork":false,"description":"","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-08-30T11:18:10.014Z"}},{"type":"Public","name":"Goodman-lab","owner":"Goodman-lab","isFork":false,"description":"Overview","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-06-01T15:34:30.951Z"}}],"repositoryCount":19,"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":"Goodman-lab repositories"}