Source code for HOLE program.
☆42Aug 15, 2024Updated last year
Alternatives and similar repositories for hole2
Users that are interested in hole2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- CHAP is a tool for the functional annotation of ion channel structures:☆22Jan 17, 2024Updated 2 years ago
- Scripts for PCA and related analyses of lipid motions☆10Jun 21, 2022Updated 4 years ago
- A python toolkit for analysing membrane protein-lipid interactions.☆71Mar 30, 2026Updated 3 months ago
- Normal Mode Analysis for Macromolecules☆18Apr 1, 2017Updated 9 years ago
- ☆10Dec 27, 2019Updated 6 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.
- ☆16Feb 4, 2017Updated 9 years ago
- ☆12Jul 30, 2019Updated 6 years ago
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆20Jul 16, 2026Updated last week
- ☆11Oct 18, 2019Updated 6 years ago
- ☆15Jan 31, 2019Updated 7 years ago
- cryo_fit1 source codes, test files, live at .../phenix-xxxx/modules☆10Mar 25, 2022Updated 4 years ago
- Weighted Ensemble simulation framework in Python☆61Jun 1, 2026Updated last month
- Transport-based interpolation of cryo-EM density maps for ChimeraX☆12Jun 15, 2021Updated 5 years ago
- Access to data for workshops and extended tests of MDAnalysis.☆19Apr 3, 2026Updated 3 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆40Jul 17, 2024Updated 2 years ago
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- Python bindings for TNG file format☆13Oct 14, 2025Updated 9 months ago
- Various mechanics modules for the MOOSE framework☆15Jul 15, 2025Updated last year
- GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.☆32Updated this week
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Funnel maker is a set of scripts that sets up funnel metadynamics simulations for protein-ligand binding with PLUMED and OpenMM.☆15Jan 3, 2026Updated 6 months ago
- ☆20Feb 6, 2017Updated 9 years ago
- a quick primer on making prettier (and more impactful) plots☆14Sep 27, 2015Updated 10 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆18Sep 20, 2022Updated 3 years ago
- the simple alchemistry library☆241Jun 1, 2026Updated last month
- ☆19Jan 23, 2026Updated 6 months ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆367Jul 14, 2026Updated last week
- An open tool implementing some recommended practices for analyzing alchemical free energy calculations☆139May 24, 2024Updated 2 years ago
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆310Feb 12, 2026Updated 5 months ago
- ☆39Dec 6, 2012Updated 13 years ago
- Colorblind-friendly, perceptually uniform palettes for chimerax☆14Sep 26, 2020Updated 5 years ago
- The MDAnalysis Toolkits Registry☆19Updated 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.
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆23Updated this week
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆180Mar 11, 2026Updated 4 months ago
- Robust Equilibration Detection☆29Feb 2, 2026Updated 5 months ago
- Complete language support for GROMACS molecular dynamics simulation files including MDP, TOP, GRO, and NDX formats☆17Jan 14, 2026Updated 6 months ago
- GPU accelerated software package for CTF estimation of cryoEM micrographs and cryoET tilt series☆25Jul 17, 2026Updated last week
- Analysis of non-covalent interactions in MD trajectories☆69Jan 3, 2025Updated last year
- MDAnalysis tool to calculate membrane curvature.☆36Updated this week