Assorted Python Scripts to accompany the gmx analysis tools
☆12Jul 16, 2019Updated 6 years ago
Alternatives and similar repositories for gmx-tools
Users that are interested in gmx-tools are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Force fields in various formats☆26May 2, 2024Updated 2 years ago
- gmx_corr converts the covariance matrix which is produced by GROMACS covar to cross correlation matrix and creates a heat map figure.☆11Oct 11, 2022Updated 3 years ago
- ☆25Feb 28, 2023Updated 3 years ago
- ☆12Aug 9, 2015Updated 10 years ago
- repository for Group-contribution based Graph neural Networks☆18Mar 27, 2026Updated last month
- 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.
- Read SACD ISO files list & extract tracks using sacd_extract☆15Mar 29, 2026Updated last month
- ☆11Nov 22, 2024Updated last year
- Detect and characterize binding pockets from molecular simulations.☆16Mar 17, 2026Updated last month
- MAW: a suite on the computation and application of Minimal Absent Words☆16Nov 1, 2021Updated 4 years ago
- ☆11Aug 30, 2020Updated 5 years ago
- ☆17Oct 14, 2025Updated 6 months ago
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Apr 30, 2026Updated last week
- Script to check required packages for Schrödinger suite on Linux machine☆13Mar 23, 2026Updated last month
- ☆13Mar 12, 2026Updated last month
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A complete waste of time☆15Dec 11, 2022Updated 3 years ago
- ☆15Sep 29, 2025Updated 7 months ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Dec 10, 2025Updated 4 months ago
- Help Elon Musk Launch a Rocket 🚀☆23Jan 12, 2024Updated 2 years ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆53May 30, 2025Updated 11 months ago
- ☆18Aug 28, 2025Updated 8 months ago
- A python library for generating GraphQL queries and mutations using plain python objects, no hardcoded strings.Any questions or issues, p…☆22Aug 14, 2023Updated 2 years ago
- From metagenomes to epitopes and beyond☆12Updated this week
- 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.
- Command line interface for MDAnalysis☆23Updated this week
- A Qt graphical user interface for pyGAPS. WIP.☆21Jun 26, 2023Updated 2 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆43Jan 29, 2026Updated 3 months ago
- An ultra-high-performance protein-protein docking for heterogeneous supercomputers☆73Dec 10, 2023Updated 2 years ago
- ☆10Nov 5, 2019Updated 6 years ago
- A Python implementation of a sum-product network with gaussian processes leafs model (SPNGP, arXiv:1809.04400)☆19Jun 29, 2023Updated 2 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- Codec for DNA data storage able to correct substitutions, deletions, insertions and fragment loss with constraint adherence.☆15Jan 14, 2025Updated last year
- These are the input files for MD simulation in Gromacs 5.0+☆12Apr 10, 2023Updated 3 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Introduction to Scientific Visualization with Blender course☆21Mar 13, 2026Updated last month
- Automated bonded parameters for Martini 3☆27Jul 20, 2025Updated 9 months ago
- ☆10Feb 25, 2021Updated 5 years ago
- VMD Audio/Text control with natural language☆19May 12, 2021Updated 4 years ago
- Material from papers from KULL centre☆71May 29, 2024Updated last year
- repository associated to our pipeline for lipid dynamics☆15Jun 17, 2024Updated last year
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago