Visual Interactive Analysis of Molecular Dynamics
☆340Nov 2, 2026Updated this week
Alternatives and similar repositories for viamd
Users that are interested in viamd are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Oct 23, 2026Updated last week
- Automated Adaptive Absolute alchemical Free Energy calculator☆134Oct 5, 2026Updated 3 weeks ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆152Feb 12, 2025Updated last year
- Interaction Fingerprints for protein-ligand complexes and more☆553Updated this week
- ☆91Jul 19, 2023Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- PDBFixer fixes problems in PDB files☆683Mar 10, 2026Updated 7 months ago
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 4 months ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆226Mar 4, 2026Updated 8 months ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆90Jan 8, 2025Updated last year
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,681Oct 26, 2026Updated last week
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆174Aug 18, 2026Updated 2 months ago
- Cloud-based molecular simulations for everyone☆508Aug 26, 2026Updated 2 months ago
- The Open Free Energy toolkit☆347Updated this week
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆185Jul 28, 2026Updated 3 months 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.
- An open library for the analysis of molecular dynamics trajectories☆744Oct 26, 2026Updated last week
- Analysis of non-covalent interactions in MD trajectories☆72Jan 3, 2025Updated last year
- An interoperable Python framework for biomolecular simulation.☆175Oct 21, 2026Updated 2 weeks ago
- A comprehensive toolkit for predicting free energies☆62Jan 10, 2025Updated last year
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 7 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆179Oct 26, 2026Updated last week
- Auto3D generates low-energy conformers from SMILES/SDF☆196Updated this week
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated 8 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.
- Fully automated docking pipeline (can be run in distributed environments)☆88Updated this week
- ☆20Nov 10, 2021Updated 4 years ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated 3 months ago
- A python module to plot secondary structure schemes☆26Mar 18, 2026Updated 7 months ago
- the simple alchemistry library☆249Updated this week
- We provide a set of scripts to calculate native contacts from a MD. Native contacts are determined according to the overlap and rCSU appr…☆16Jul 2, 2024Updated 2 years ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson.☆19Jun 26, 2026Updated 4 months ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆26Jul 17, 2026Updated 3 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆144Nov 10, 2025Updated 11 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆721Apr 21, 2026Updated 6 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated 2 years ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆109Jul 5, 2024Updated 2 years ago
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆283Apr 16, 2026Updated 6 months ago
- Parameter/topology editor and molecular simulator☆457Oct 21, 2026Updated 2 weeks ago
- ☆27Dec 15, 2025Updated 10 months ago
- High-performance molecular visualization software☆80Oct 27, 2026Updated last week