These are the input files for MD simulation in Gromacs 5.0+
☆14Apr 10, 2023Updated 3 years ago
Alternatives and similar repositories for MD-simulation-files
Users that are interested in MD-simulation-files are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Data files for the molecular modelling course☆14Jan 26, 2024Updated 2 years ago
- Tools, tutorials, and wiki for GROMACS☆21Jul 21, 2020Updated 6 years ago
- nf-core/datasync is a system operation pipeline that provides several workflows for handling system operation / automation tasks☆11Oct 26, 2026Updated last week
- ☆10Apr 25, 2024Updated 2 years ago
- A command-line interface for MD-Repo service☆10Oct 6, 2026Updated 3 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Algorithms to analyze and predict molecular structures☆25Jul 4, 2025Updated last year
- A repository for tutorials and FAQ's about LigParGen☆25Aug 12, 2018Updated 8 years ago
- Board InteGrating Metagenome-Assembled Genomes☆10Dec 16, 2025Updated 10 months ago
- Script to check required packages for Schrödinger suite on Linux machine☆13Sep 17, 2026Updated last month
- 3D model for HKUST Redbird (Sundial) built with OpenSCAD☆15Oct 13, 2022Updated 4 years ago
- A pipeline for extracting Presence-Absence Variations (PAVs) in eukaryotic and prokaryotic genomes across multiple assemblies.☆11May 21, 2026Updated 5 months ago
- From metagenomes to epitopes and beyond☆12Oct 26, 2026Updated last week
- Bioinformatics stuff☆14Jun 3, 2025Updated last year
- Code for "Evidence of Learned Look-Ahead in a Chess-Playing Neural Network"☆31Jun 4, 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.
- Prediction of alternative conformation and fold-switching proteins with ColabFold☆16Jul 7, 2026Updated 3 months ago
- ☆12May 3, 2025Updated last year
- ☆20Aug 29, 2026Updated 2 months ago
- ☆15Jun 23, 2026Updated 4 months ago
- Program to calculate SDPs using Noisy intermediate scale quantum (NISQ) computers.☆12Feb 3, 2025Updated last year
- Analysis tool for NG-Capture-C, Tri-C and Tiled-C data☆10Jun 10, 2026Updated 4 months ago
- Data and script of Umbrella Sampling for molecular transmembrane☆14Jun 21, 2024Updated 2 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- ☆12Mar 26, 2020Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆13May 26, 2022Updated 4 years ago
- LiveCoMS GROMACS Tutorials Paper☆148Aug 1, 2026Updated 3 months ago
- A Nextflow wrapped workflow for generating the mutation profiles of SARS-CoV-2 or Mpox genomes. Workflow is developed in collaboration wi…☆11Sep 18, 2026Updated last month
- Sample and predict coarse grain 3D RNA structures☆10Feb 12, 2024Updated 2 years ago
- An eigenmode solver for open electromagnetic resonantors☆36Dec 2, 2019Updated 6 years ago
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- Comparative Metatranscriptomics Workflow☆10Jul 9, 2020Updated 6 years ago
- Tree Search Molecular Dynamics Simulation☆11Aug 25, 2019Updated 7 years ago
- Learning free energy landscapes using artificial neural networks☆16Nov 30, 2017Updated 8 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Python scripts to convert CGenFF stream files to GROMACS format☆57Apr 27, 2026Updated 6 months ago
- Deep transformer for predicting interchain residue-residue distances of protein complexes☆14Mar 19, 2024Updated 2 years ago
- ☆10Feb 25, 2021Updated 5 years ago
- Code associated with with the 2023 Nature Genetics Paper "Region Capture Micro-C reveals coalescence of enhancers and promoters into nest…☆12May 31, 2023Updated 3 years ago
- Set of useful HADDOCK utility scripts☆57Sep 19, 2025Updated last year
- ☆13Feb 7, 2023Updated 3 years ago
- running real time style net and CycleGAN in pyqt!☆14Feb 7, 2020Updated 6 years ago