persistent, pythonic trees for heterogeneous data
☆33May 20, 2022Updated 4 years ago
Alternatives and similar repositories for datreant
Users that are interested in datreant are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Python bindings for TNG file format☆13Oct 14, 2025Updated 8 months ago
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated last year
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 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.
- Cadishi: CAlculation of DIStance HIstograms☆16Sep 16, 2020Updated 5 years ago
- Reads Gromacs EDR file to populate a pandas dataframe☆34Oct 12, 2025Updated 8 months ago
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- Access to data for workshops and extended tests of MDAnalysis.☆19Apr 3, 2026Updated 3 months ago
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆16Jul 20, 2018Updated 7 years ago
- MD trajectory server☆38Jul 6, 2023Updated 3 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- A lightweight C++11 Monte Carlo molecular simulation engine☆10Aug 1, 2017Updated 8 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Apr 12, 2018Updated 8 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.
- the simple alchemistry test set☆10Nov 20, 2025Updated 7 months ago
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- a quick primer on making prettier (and more impactful) plots☆14Sep 27, 2015Updated 10 years ago
- Interactive plotting of data annotated with molecule structures.☆12Nov 30, 2023Updated 2 years ago
- A free energy command line tool using alchemlyb☆17Dec 11, 2022Updated 3 years ago
- MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop☆13Jul 22, 2016Updated 9 years ago
- MDAnalysis wrapper around Packmol☆37May 1, 2023Updated 3 years ago
- CHAP is a tool for the functional annotation of ion channel structures:☆22Jan 17, 2024Updated 2 years ago
- Examples and data for performing path similarity analysis (PSA).☆18Oct 23, 2015Updated 10 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- RADICAL-Pilot☆64May 25, 2026Updated last month
- A Werkzeug-based debugger for gevent-socketio☆15Jun 11, 2014Updated 12 years ago
- Plugin for pytest to run IPython notebook cells as unit tests☆99Dec 23, 2018Updated 7 years ago
- A python interface for the GROMACS molecular simulation package.☆24Jun 4, 2012Updated 14 years ago
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26May 12, 2021Updated 5 years ago
- Probabilistic Inference for NOvel Therapeutics☆15Feb 5, 2022Updated 4 years ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆54Apr 27, 2023Updated 3 years ago
- Small Rust library for handling multi-dimensional data☆13Feb 9, 2021Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A primer on software development best practices for computational chemistry☆276Dec 5, 2022Updated 3 years ago
- Cubed-Sphere data processing with xarray☆18Jan 16, 2020Updated 6 years ago
- Molecular Dynamics in the Open☆91Jun 30, 2026Updated last week
- Julia utilities for reading in and analyzing Gromacs simulation results☆19Oct 3, 2020Updated 5 years ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Aug 16, 2022Updated 3 years ago
- Python script that creates 2D protein-ligand interaction images☆13Apr 23, 2018Updated 8 years ago
- Installable VMD as a python module☆154Jun 10, 2025Updated last year