Installable VMD as a python module
☆157Jun 10, 2025Updated last year
Alternatives and similar repositories for vmd-python
Users that are interested in vmd-python are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Membrane protein builder and parameterizer☆19Sep 1, 2024Updated 2 years ago
- Example files for Colvars module: https://github.com/Colvars/colvars☆14Dec 7, 2021Updated 4 years ago
- An open library for the analysis of molecular dynamics trajectories☆741Updated this week
- Software Suite for Advanced General Ensemble Simulations☆94Feb 24, 2023Updated 3 years ago
- Conversion tool for molecular simulations☆231Jan 22, 2026Updated 9 months 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.
- Get access to our MD data files.☆34Nov 22, 2023Updated 2 years ago
- Parameter/topology editor and molecular simulator☆457Oct 21, 2026Updated last week
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆203Jul 6, 2023Updated 3 years ago
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,672Updated this week
- A script for analysing well tempered metadynamics☆11Apr 8, 2021Updated 5 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated 2 years ago
- Flexible storage of chemical topology for molecular simulation☆75Oct 20, 2026Updated last week
- NAMD's psfgen + Python improvements☆17Sep 1, 2024Updated 2 years ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆342Updated this week
- 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.
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 5 years ago
- Collective variables library for molecular simulation and analysis programs☆243Updated this week
- MoSDeF-GOMC: Python software for the creation of scientific workflows for the Monte Carlo simulation engine GOMC☆17Oct 19, 2026Updated last week
- APBS - software for biomolecular electrostatics and solvation☆132Jul 27, 2020Updated 6 years ago
- LOOS: a lightweight object-oriented structure analysis library☆130Oct 20, 2026Updated last week
- Bayesian tools for fitting molecular mechanics torsion parameters to quantum chemical data.☆21Sep 20, 2021Updated 5 years ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆152Jun 28, 2026Updated 4 months ago
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆23Mar 13, 2018Updated 8 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Python tools for VMD☆10Jun 3, 2018Updated 8 years ago
- persistent, pythonic trees for heterogeneous data☆33May 20, 2022Updated 4 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 8 years ago
- python simulation interface for molecular modeling☆109Jun 26, 2022Updated 4 years ago
- A stripped-down set of just antechamber, sqm, and tleap.☆34Sep 20, 2021Updated 5 years ago
- ☆52Jun 15, 2020Updated 6 years ago
- ☆11Aug 30, 2020Updated 6 years ago
- Statistical models for biomolecular dynamics☆168Jan 26, 2021Updated 5 years ago
- Robust Equilibration Detection☆35Aug 6, 2026Updated 2 months 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.
- Python Cp2k interface☆105Jun 7, 2022Updated 4 years ago
- Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.☆39May 8, 2023Updated 3 years ago
- MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store☆31Dec 16, 2023Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated 2 years ago
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Gromacs to Lammps simulation converter☆95Dec 9, 2023Updated 2 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆26Oct 19, 2026Updated last week