{"repo":"Martini-Force-Field-Initiative/M3-Small-Molecules","free":true,"listed":false,"github":"https://github.com/Martini-Force-Field-Initiative/M3-Small-Molecules","clone":"git clone https://github.com/Martini-Force-Field-Initiative/M3-Small-Molecules.git","description":"Martini 3 small molecule database","language":"Shell","stars":73,"topics":["coarse-graining","martini3","molecular-dynamics","small-molecules","database"],"license":"Apache-2.0","category":"databases-storage","readme_excerpt":"Martini 3 small-molecule database This GitHub repository contains a collection of Martini 3 models for small molecules. If you use or wish to cite the Martini 3 small-molecule database, please refer to the following publication: - R. Alessandri, J. Barnoud, A.S. Gertsen, I. Patmanidis, A.H. de Vries, P.C.T. Souza, S.J. Marrink. \"Martini 3 Coarse-Grained Force Field: Small Molecules\", Adv. Theory Simul. 2022 , 5 , 2100391 (open-access). Additional references should be cited for particular models. Please check the header of the model for details. Quick links Current itp collection of Martini 3 small molecule models Current lookup table of Martini 3 small molecule models Tutorial: Parametrizing a new small molecule with Martini 3 Building block reference table to guide bead type choice Talk about Martini 3 small molecules at the Martini Workshop 2021 ( slides ) Brief summary of repo content This repo contains: - Martini 3 small molecule models (and supporting files, e.g., atomistic-to-Martini mapping files): models/ - The procedures used to compute properties: procedures/ Please make sure to check the README.md in each subfolder for some more information and details. Contributing Contributions are welcome as [bug reports] and [pull requests] from everyone. License Copyright 2021 University of Groningen Licensed under the Apache License, Version 2.0 (the \"License\"); you may not use this file except in compliance with the License. You may obtain a copy of the License at http://www","default_branch":null,"files":null,"tree":[],"storefront":"/r/Martini-Force-Field-Initiative","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/Martini-Force-Field-Initiative/M3-Small-Molecules/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}