Assorted Python Scripts to accompany the gmx analysis tools
β12Jul 16, 2019Updated 7 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:
- MDverse web scrapper ππ§πβ15Feb 21, 2026Updated 8 months ago
- Force fields in various formatsβ28May 2, 2024Updated 2 years ago
- β12Feb 27, 2025Updated last year
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU apprβ¦β16Jul 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.β11Oct 11, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer β’ AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Parse ProForma 2.1 peptide sequences and calculate masses, fragments, and isotopic distributions in Python.β21Updated this week
- β25Feb 28, 2023Updated 3 years ago
- setting up and analysing PMFsβ12Dec 5, 2022Updated 3 years ago
- β11Aug 30, 2020Updated 6 years ago
- Nullomers Assessor: A computational method for statistical evaluation of nullomers & minimal absent wordsβ10Feb 20, 2023Updated 3 years ago
- β12Aug 9, 2015Updated 11 years ago
- A complete waste of timeβ15Dec 11, 2022Updated 3 years ago
- development repository for PyInteraph2β23Oct 27, 2026Updated last week
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMCβ17Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer β’ AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- β11Nov 22, 2024Updated last year
- Code for Shipman et al. 2017β13Jul 12, 2017Updated 9 years ago
- protein deimmunization with a discrete diffusion modelβ14Oct 11, 2026Updated 3 weeks ago
- A Python module written in rust to encode DNA sequences for machine learningβ11Oct 1, 2026Updated last month
- nf-core/datasync is a system operation pipeline that provides several workflows for handling system operation / automation tasksβ11Oct 26, 2026Updated last week
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessmentβ12Dec 10, 2025Updated 10 months ago
- Solvation Structure and Thermodynamic Mappingβ42Dec 17, 2025Updated 10 months ago
- Read SACD ISO files list & extract tracks using sacd_extractβ16Mar 29, 2026Updated 7 months ago
- A command-line interface for MD-Repo serviceβ10Oct 6, 2026Updated last month
- Virtual machines for every use case on DigitalOcean β’ AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- MAW: a suite on the computation and application of Minimal Absent Wordsβ18Nov 1, 2021Updated 5 years ago
- Correlation-based feature selection of Molecular Dynamics simulationsβ29Aug 18, 2026Updated 2 months ago
- Calculation of water/solvent partition coefficients with Gromacs.β30Oct 14, 2024Updated 2 years ago
- Script to check required packages for SchrΓΆdinger suite on Linux machineβ13Sep 17, 2026Updated last month
- Help Elon Musk Launch a Rocket πβ24Jan 12, 2024Updated 2 years ago
- repository for Group-contribution based Graph neural Networksβ19Mar 27, 2026Updated 7 months ago
- A python library for generating GraphQL queries and mutations using plain python objects, no hardcoded strings.Any questions or issues, pβ¦β22Jun 16, 2026Updated 4 months ago
- Board InteGrating Metagenome-Assembled Genomesβ10Dec 16, 2025Updated 10 months ago
- A short list of Nextflow-related branch-lessons for beginnersβ10Mar 7, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer β’ AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- β16Sep 29, 2025Updated last year
- Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and β¦β10Dec 8, 2016Updated 9 years ago
- A pipeline for extracting Presence-Absence Variations (PAVs) in eukaryotic and prokaryotic genomes across multiple assemblies.β11May 21, 2026Updated 5 months ago
- From metagenomes to epitopes and beyondβ12Oct 26, 2026Updated last week
- Python scripts to convert CGenFF stream files to GROMACS formatβ57Apr 27, 2026Updated 6 months ago
- β18Aug 28, 2025Updated last year
- A Qt graphical user interface for pyGAPS. WIP.β22Updated this week