{"payload":{"pageCount":2,"repositories":[{"type":"Public","name":"slack-helpers","owner":"deargen","isFork":false,"description":"Send traceback, matplotlib, pillow, PDB etc. on Slack and preview them with ease.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"Apache License 2.0","participation":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,6,1],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-21T09:56:42.494Z"}},{"type":"Public","name":"bio-data-to-db","owner":"deargen","isFork":false,"description":"Parse Bio data and make DB, fix string encodings, useful DB helpers etc.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":"Apache License 2.0","participation":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,11,1,0,1,5,0,2,1],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-21T09:54:40.451Z"}},{"type":"Public","name":"rust-graph","owner":"deargen","isFork":false,"description":"Graph algorithm implementations in Rust available as a Python package","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":4,"forksCount":0,"license":"Apache License 2.0","participation":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,6,0,2,0,0,0,0,0,0,1,0,1],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-21T09:53:52.506Z"}},{"type":"Public","name":"Pocket2Mol_RL_public","owner":"deargen","isFork":false,"description":"Public repository of the paper <Fine-tuning Pocket-conditioned 3D Molecule Generation via Reinforcment Learning>","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":4,"forksCount":2,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-12T08:41:27.117Z"}},{"type":"Public","name":"workflows","owner":"deargen","isFork":false,"description":"Reusable workflows","allTopics":[],"primaryLanguage":{"name":"Shell","color":"#89e051"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":1,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-08T09:26:50.717Z"}},{"type":"Public","name":".github","owner":"deargen","isFork":false,"description":"","allTopics":[],"primaryLanguage":null,"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-07T14:24:35.605Z"}},{"type":"Public","name":"bsp_public","owner":"deargen","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":"2024-09-05T06:33:08.116Z"}},{"type":"Public","name":"reduce-binary","owner":"deargen","isFork":false,"description":"Automatically compile and release \"reduce\".","allTopics":[],"primaryLanguage":{"name":"Dockerfile","color":"#384d54"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-27T06:37:34.761Z"}},{"type":"Public","name":"pdb2pqr","owner":"deargen","isFork":true,"description":"PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":34,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-17T05:56:41.057Z"}},{"type":"Public","name":"seldon-core","owner":"deargen","isFork":true,"description":"Seldon-core v2 for local docker deployment","allTopics":[],"primaryLanguage":{"name":"Go","color":"#00ADD8"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":830,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-03-05T05:56:13.192Z"}},{"type":"Public","name":"3D-Generative-SBDD","owner":"deargen","isFork":true,"description":"💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":42,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-02-01T10:44:04.634Z"}},{"type":"Public","name":"gypsum_dl","owner":"deargen","isFork":true,"description":"Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3D models. It outputs models with alternate ionization, tautomeric, chiral, cis/trans isomeric, and ring-conformational states.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":11,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-12-15T05:48:08.928Z"}},{"type":"Public","name":"3Dmol.js","owner":"deargen","isFork":true,"description":"WebGL accelerated JavaScript molecular graphics library","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":192,"license":"Other","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-13T18:52:54.294Z"}},{"type":"Public","name":"molskill","owner":"deargen","isFork":true,"description":"Learning chemical intuition from humans in the loop. Supporting code.","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":9,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-06T01:32:35.672Z"}},{"type":"Public","name":"apex","owner":"deargen","isFork":false,"description":"fixed version of nvidia apex","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"BSD 3-Clause \"New\" or \"Revised\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-24T08:32:25.029Z"}},{"type":"Public","name":"degpred","owner":"deargen","isFork":true,"description":"A deep learning model to predict E3 binding sites (degrons) on protein substrates","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":2,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-05T01:15:53.398Z"}},{"type":"Public","name":"GeoLDM","owner":"deargen","isFork":true,"description":"Geometric Latent Diffusion Models for 3D Molecule Generation","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":37,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-15T05:32:50.146Z"}},{"type":"Public","name":"scscore","owner":"deargen","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Roff","color":"#ecdebe"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":41,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-12T04:43:39.423Z"}},{"type":"Public","name":"jtvae","owner":"deargen","isFork":true,"description":"Junctional Tree Variational Auto-encoder ","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-06-07T07:43:42.907Z"}},{"type":"Public","name":"Pocket2Mol","owner":"deargen","isFork":true,"description":"Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":70,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-05-24T05:33:16.316Z"}},{"type":"Public","name":"DESERT","owner":"deargen","isFork":true,"description":"Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":9,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-05-18T07:35:02.016Z"}},{"type":"Public","name":"PretrainYourLoss","owner":"deargen","isFork":true,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":13,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-05-03T01:32:10.203Z"}},{"type":"Public","name":"DeepInteract","owner":"deargen","isFork":true,"description":"Replicating DeepInteract for custom PPI ","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":11,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-04-18T09:22:06.820Z"}},{"type":"Public","name":"swag_original","owner":"deargen","isFork":true,"description":"Code repo for \"A Simple Baseline for Bayesian Uncertainty in Deep Learning\"","allTopics":[],"primaryLanguage":{"name":"Jupyter Notebook","color":"#DA5B0B"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":81,"license":"BSD 2-Clause \"Simplified\" License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-01-04T01:25:16.178Z"}},{"type":"Public","name":"react-clustergrammer","owner":"deargen","isFork":false,"description":"React component for clustergrammer","allTopics":[],"primaryLanguage":{"name":"JavaScript","color":"#f1e05a"},"pullRequestCount":0,"issueCount":4,"starsCount":6,"forksCount":6,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-08-03T20:33:04.873Z"}},{"type":"Public","name":"Reinvent","owner":"deargen","isFork":true,"description":"Reinvent for Deargen","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":108,"license":"Apache License 2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-08-01T16:08:00.163Z"}},{"type":"Public","name":"MT-ENet","owner":"deargen","isFork":false,"description":"Repository for \"Improving evidential deep learning via multi-task learning,\" published in AAAI2022","allTopics":["machine-learning","deep-learning","pytorch","drug-discovery","uncertainty-quantification","uncertainty-estimation","aaai","bayesian-neural-networks","multitask-learning","empirical-bayes","drug-target-interactions","evidential-deep-learning"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":18,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-03-04T08:10:00.540Z"}},{"type":"Public","name":"DeepRePath","owner":"deargen","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":"GNU General Public License v2.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2021-05-17T22:00:32.096Z"}},{"type":"Public","name":"mt-dti","owner":"deargen","isFork":false,"description":"An official Molecule Transformer Drug Target Interaction (MT-DTI) model","allTopics":["protein","drug-discovery","drug","dti","affinity","drug-target-interactions","mt-dti","molecule-transformer"],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":1,"issueCount":1,"starsCount":34,"forksCount":20,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-11-06T09:49:25.105Z"}},{"type":"Public","name":"cmg","owner":"deargen","isFork":false,"description":"Controlled Molecule Generator for for Optimizing Multiple Chemical Properties","allTopics":[],"primaryLanguage":{"name":"Python","color":"#3572A5"},"pullRequestCount":0,"issueCount":0,"starsCount":7,"forksCount":4,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2020-10-26T21:39:34.537Z"}}],"repositoryCount":34,"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":"deargen repositories"}