Mapping from Coarse Grain Models to Atomistic (and Back)
☆22Sep 27, 2023Updated 3 years ago
Alternatives and similar repositories for Backward
Users that are interested in Backward are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆97Oct 19, 2026Updated 2 weeks ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆69Aug 2, 2026Updated 3 months ago
- ☆21Feb 6, 2017Updated 9 years ago
- Describe and apply transformation on molecular structures and topologies☆152Updated this week
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆39Nov 2, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Martini 3 small molecule database☆74May 13, 2026Updated 5 months ago
- Cartoon mesh generation for secondary structure of proteins in C++☆10Jan 14, 2019Updated 7 years ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26May 12, 2021Updated 5 years ago
- Automatic MARTINI parametrization of small organic molecules☆76May 28, 2025Updated last year
- A tool for visualizing Martini force field simulations in VMD☆28May 11, 2026Updated 5 months ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Sep 17, 2026Updated last month
- Coarse-grained mapping and parametrisation for the Martini 3 forcefield☆23Jul 20, 2026Updated 3 months ago
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆14Jun 10, 2015Updated 11 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆31Sep 6, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆18Sep 11, 2022Updated 4 years ago
- Code for enumerating and evaluating numerical methods for Langevin dynamics using near-equilibrium estimates of the KL-divergence. Accomp…☆13Mar 28, 2018Updated 8 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- Home of the public Martini 3 lipid parameters☆29Sep 29, 2025Updated last year
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 6 years ago
- Support data and code for paper "UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning"☆13Sep 5, 2023Updated 3 years ago
- ☆12Oct 24, 2017Updated 9 years ago
- A Python and Machine Learning methods implementation for Crystal Structure Prediction and Diffraction Study☆13Apr 1, 2025Updated last year
- An experimental package for deep learning for molecular docking☆22Mar 21, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Tinker-FFE: Molecular Engineering GUI for Tinker☆11Feb 4, 2026Updated 8 months ago
- Master project repository for Gøran Brekke Svaland. Molecular Dynamics using LAMMPS. CLAYFF. REAXFF.☆12May 26, 2015Updated 11 years ago
- Render viral capsids in the browser and export SVG.☆13Sep 28, 2026Updated last month
- blogpost notebooks☆20Aug 18, 2020Updated 6 years ago
- Tutorial using PLANTS (Protein-Ligand ANTSystem)☆16Jul 27, 2024Updated 2 years ago
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- The Surface Assessment via Grid Evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of s…☆12Jun 7, 2026Updated 4 months ago
- Learning free energy landscapes using artificial neural networks☆16Nov 30, 2017Updated 8 years ago
- Webpage of the Bonvinlab @ Utrecht University and HADDOCK software☆13Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- The Molecular Dynamics teaching code.☆12Oct 17, 2025Updated last year
- USER-MESO package for LAMMPS☆13Oct 9, 2016Updated 10 years ago
- View proteins and trajectories in the terminal☆119Aug 8, 2020Updated 6 years ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated 2 years ago
- aligning molecules☆10Apr 24, 2021Updated 5 years ago
- Fast, parallelized implementation of Principal Component Analysis with constant memory consumption for large data sets.☆12Feb 18, 2022Updated 4 years ago
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago