{"payload":{"pageCount":2,"repositories":[{"type":"Public","name":"PereiraMartinez2024.jl","owner":"m3g","isFork":false,"description":"Supplementary information for Pereira and Martínez, 2024.","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-21T09:18:01.129Z"}},{"type":"Public","name":"EasyFit.jl","owner":"m3g","isFork":false,"description":"Easy interface for obtaining fits for 2D data","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":1,"starsCount":37,"forksCount":4,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-20T14:52:21.183Z"}},{"type":"Public","name":"MolSimToolkit.jl","owner":"m3g","isFork":false,"description":"A set of tools for analyzing molecular dynamics simulations","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":1,"issueCount":0,"starsCount":9,"forksCount":2,"license":"MIT License","participation":[1,3,0,0,0,23,1,3,3,0,0,15,9,0,0,0,0,3,0,4,21,23,0,21,42,11,6,0,15,6,12,10,1,8,9,5,0,14,11,0,10,6,0,0,0,0,0,0,0,0,27,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-11T12:20:55.519Z"}},{"type":"Public","name":"PDBTools.jl","owner":"m3g","isFork":false,"description":"Simple structure and functions to read and write PDB files","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":4,"issueCount":1,"starsCount":11,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-10T12:19:44.563Z"}},{"type":"Public","name":"Packmol.jl","owner":"m3g","isFork":false,"description":"The future of Packmol","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":1,"starsCount":21,"forksCount":1,"license":"MIT License","participation":[0,0,0,0,0,0,0,0,0,0,0,4,0,0,1,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,11,3,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-09-04T19:22:48.917Z"}},{"type":"Public","name":"ComplexMixtures.jl","owner":"m3g","isFork":false,"description":"Package to perform minimum-distance distribution analyses of complex solute-solvent interactions","allTopics":["chemistry","molecular-dynamics","molecular-simulation","molecular-dynamics-simulation","lammps","namd","gromacs","amber","molecular-modeling","distribution-function"],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":1,"issueCount":0,"starsCount":15,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-28T18:50:55.436Z"}},{"type":"Public","name":"SPGBox.jl","owner":"m3g","isFork":false,"description":"Spectral Projected Gradient Method for Box-Constrained Minimization","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":1,"issueCount":2,"starsCount":17,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-26T14:27:53.423Z"}},{"type":"Public","name":"m3g.github.io","owner":"m3g","isFork":false,"description":"Martínez Molecular Modeling Group","allTopics":[],"primaryLanguage":{"name":"HTML","color":"#e34c26"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-22T19:43:40.402Z"}},{"type":"Public","name":"packmol","owner":"m3g","isFork":false,"description":"Packmol - Initial configurations for molecular dynamics simulations","allTopics":["simulation","molecular-dynamics"],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":2,"starsCount":222,"forksCount":51,"license":"MIT License","participation":[0,0,0,0,0,0,0,0,5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,2,0,0,0,0,0,0,0,0,0,0,33,0,0,0,0,2,0,0,0,0,0],"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-14T19:11:08.968Z"}},{"type":"Public","name":"CellListMap.jl","owner":"m3g","isFork":false,"description":"Flexible implementation of cell lists to map the calculations of particle-pair dependent functions, such as forces, energies, neighbor lists, etc.","allTopics":["molecular-dynamics","molecular-dynamics-simulation","minimum-distances"],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":1,"issueCount":10,"starsCount":87,"forksCount":4,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-08-06T20:08:54.987Z"}},{"type":"Public","name":"JuliaNotes.jl","owner":"m3g","isFork":false,"description":"A collection of examples and explanations about Julia","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":1,"issueCount":1,"starsCount":158,"forksCount":11,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-06-18T14:38:07.633Z"}},{"type":"Public","name":"2021_FortranCon","owner":"m3g","isFork":false,"description":"Simulation codes shown at the FortranCon 2021","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":21,"forksCount":2,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-12T12:24:50.275Z"}},{"type":"Public","name":"2024_Ramos_Martinez_BGHI","owner":"m3g","isFork":false,"description":"Data for Ramos, Martínez, 2024","allTopics":[],"primaryLanguage":{"name":"Tcl","color":"#e4cc98"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-11T17:58:32.417Z"}},{"type":"Public","name":"lovoalign","owner":"m3g","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":8,"forksCount":5,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-04-09T12:21:05.787Z"}},{"type":"Public","name":"2023_AFP-LM_BpdA","owner":"m3g","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-02-16T20:27:32.984Z"}},{"type":"Public","name":"ComplexMixturesExamples","owner":"m3g","isFork":false,"description":"Examples provided for the ComplexMixtures package.","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":1,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-02-07T14:35:02.293Z"}},{"type":"Public archive","name":"BlockAverage.jl","owner":"m3g","isFork":false,"description":"Computes the block average and error of the mean of (time-dependent) data.","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":3,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2024-01-24T18:50:12.700Z"}},{"type":"Public archive","name":"PackmolInputCreator.jl","owner":"m3g","isFork":false,"description":"Package to help creation of Packmol input files for mixtures.","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":1,"issueCount":0,"starsCount":3,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-12-14T19:46:58.295Z"}},{"type":"Public","name":"MDLovoFit.jl","owner":"m3g","isFork":false,"description":"Julia wrapper for the MDLovoFit package","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":5,"issueCount":2,"starsCount":2,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-11-16T01:22:04.728Z"}},{"type":"Public","name":"MolecularMinimumDistances.jl","owner":"m3g","isFork":false,"description":"Computes the set of minimum distances between to sets of particles, which can be grouped (like in molecules).","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":8,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-12T01:01:10.485Z"}},{"type":"Public","name":"SolventShellInteractions.jl","owner":"m3g","isFork":false,"description":"Computes the interaction potential between a solute and the solvent molecules having at least one atom within a cutoff distance from the solute.","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":7,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-09-12T00:59:43.526Z"}},{"type":"Public","name":"atd_scripts","owner":"m3g","isFork":false,"description":"Anistropic Thermal Diffusion scripts - http://leandro.iqm.unicamp.br/atd-scripts","allTopics":[],"primaryLanguage":{"name":"Tcl","color":"#e4cc98"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-11T18:45:26.452Z"}},{"type":"Public","name":"mdanalysis","owner":"m3g","isFork":false,"description":"","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"GNU General Public License v3.0","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-08-11T18:12:10.206Z"}},{"type":"Public","name":"FundamentosDMC.jl","owner":"m3g","isFork":false,"description":"Material para el curso Fundamentos de Mecánica Estadística y Simulaciones: Simulación Computacional Avanzada en Química, Bioquímica y Ciencias de Materiales. CELFI/Universidad de Buenos Aires","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":9,"forksCount":1,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-28T11:51:55.881Z"}},{"type":"Public","name":"stride","owner":"m3g","isFork":true,"description":"The original implementation of the structure identification (STRIDE) algorithm to identify protein secondary structure elements","allTopics":[],"primaryLanguage":{"name":"C","color":"#555555"},"pullRequestCount":0,"issueCount":0,"starsCount":2,"forksCount":3,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-14T12:27:35.245Z"}},{"type":"Public","name":"MDLovoFit","owner":"m3g","isFork":false,"description":"MDLovoFit is a package for the analysis of the mobility and structural fluctuation in Molecular Dynamics simulations. It allows the automatic identification of rigid and mobile regions of protein structures.","allTopics":[],"primaryLanguage":{"name":"Fortran","color":"#4d41b1"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-07-13T01:44:36.789Z"}},{"type":"Public","name":"AtomDistances.jl","owner":"m3g","isFork":false,"description":"Simple script to illustrate how to compute distance-dependent properties using Chemfiles, PDBTools, etc.","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":"MIT License","participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-04-13T17:48:24.780Z"}},{"type":"Public","name":"MCKin","owner":"m3g","isFork":false,"description":"Computes using a MC simulation the mean first-passage times between every pair of reaction coordinates, given a PMF","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":0,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2023-01-31T18:51:44.866Z"}},{"type":"Public","name":"jlcode_example","owner":"m3g","isFork":false,"description":"Example of the use of jlcode and the JuliaMono font to write Julia code in LaTeX","allTopics":[],"primaryLanguage":{"name":"TeX","color":"#3D6117"},"pullRequestCount":0,"issueCount":0,"starsCount":17,"forksCount":2,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-09-16T17:06:31.567Z"}},{"type":"Public","name":"XEMMSB2021","owner":"m3g","isFork":false,"description":"Files for XEMMSB2021","allTopics":[],"primaryLanguage":{"name":"Julia","color":"#a270ba"},"pullRequestCount":0,"issueCount":0,"starsCount":6,"forksCount":0,"license":null,"participation":null,"lastUpdated":{"hasBeenPushedTo":true,"timestamp":"2022-08-09T13:39:48.962Z"}}],"repositoryCount":52,"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":"m3g repositories"}