Software for automated molecular dynamics exploration
☆116Jul 17, 2026Updated this week
Alternatives and similar repositories for FastMDXplora
Users that are interested in FastMDXplora are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software for automated molecular dynamics simulation☆30Mar 5, 2026Updated 4 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 2 months ago
- ☆68Jul 7, 2026Updated 2 weeks ago
- MD_quick_plot helps you plot MD simulation data figures using structural and trajectory files. Compatible formats include GROMACS, AMBER,…☆24May 25, 2026Updated last month
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- 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.
- ☆23Dec 11, 2024Updated last year
- PyRosetta4 v2026-02-06 with (Global Interpreter Lock) disabled☆20Mar 22, 2026Updated 3 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆36Dec 26, 2024Updated last year
- Protein Structure Analysis☆85Apr 29, 2026Updated 2 months ago
- A toolbox for Alphafold-related workflows☆22Jul 9, 2026Updated last week
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆52Mar 23, 2026Updated 3 months ago
- Code for running BinderFlow☆66Jun 22, 2026Updated 3 weeks ago
- Molecular Dynamics for Experimentalists☆70Apr 17, 2026Updated 3 months ago
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆84Sep 23, 2025Updated 9 months 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.
- Tools for molecular Docking☆28Jul 24, 2025Updated 11 months ago
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆28Feb 24, 2026Updated 4 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆63Mar 30, 2026Updated 3 months ago
- ☆17Mar 2, 2026Updated 4 months ago
- One protein is all you need (ICLR 2026)☆113Apr 22, 2026Updated 2 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Jul 7, 2026Updated last week
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆76Apr 13, 2026Updated 3 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆91Oct 6, 2025Updated 9 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆183Jul 8, 2026Updated last week
- Structure-based drug design based on Retrieval Augmented Generation☆28Nov 7, 2025Updated 8 months ago
- ☆50Jun 15, 2026Updated last month
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆94Jun 26, 2026Updated 3 weeks ago
- ☆19Feb 27, 2026Updated 4 months ago
- Control PyMOL via Claude Code☆35May 2, 2026Updated 2 months ago
- Official repository of "ODesign: A World Model for Biomolecular Interaction Design"☆326Jul 1, 2026Updated 2 weeks ago
- A Multi-Task Generative model for Structure-Based Drug Design☆67Jun 30, 2026Updated 2 weeks ago
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆107Jun 10, 2026Updated last month
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆46Dec 30, 2025Updated 6 months ago
- BoltzGen: Toward Universal Binder Design☆1,011May 28, 2026Updated last month
- OVO, an open-source ecosystem for de novo protein design☆140Jul 13, 2026Updated last week
- ☆40Feb 20, 2026Updated 5 months ago
- ☆84Mar 23, 2026Updated 3 months ago
- ☆48Sep 24, 2025Updated 9 months ago
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆53Oct 27, 2025Updated 8 months ago