👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware
☆63Mar 23, 2026Updated 5 months ago
Alternatives and similar repositories for RoyalMD
Users that are interested in RoyalMD are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 💊 Cutting-edge automation of computational drug discovery pipelines☆37Jun 14, 2026Updated 2 months ago
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆186Jul 8, 2026Updated last month
- 📽️ Game-changing scripts for molecular visualization — produce Hollywood-quality visuals with scientific accuracy and cinematic impact☆114Jun 10, 2026Updated 2 months ago
- 🏵️ A collection of automated pipelines for building, simulation, and analysis of complex biomembrane systems☆22Apr 22, 2026Updated 4 months ago
- MD_quick_plot helps you plot MD simulation data figures using structural and trajectory files. Compatible formats include GROMACS, AMBER,…☆26Jul 26, 2026Updated last month
- 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.
- ☆51Jun 15, 2026Updated 2 months ago
- Benchmarking Cofolding Methods for Molecular Glue Ternary Structure Prediction☆16Oct 29, 2025Updated 10 months ago
- Automate seekr handling with seekrflow to decrease time and manual intervention to complete seekr calculations.☆24Aug 11, 2026Updated 2 weeks ago
- A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragmen…☆23Mar 25, 2026Updated 5 months ago
- ☆13May 24, 2026Updated 3 months ago
- ☆35Jul 18, 2026Updated last month
- ☆48Jul 17, 2026Updated last month
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆169May 9, 2026Updated 3 months ago
- ☆72Aug 19, 2026Updated last 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.
- Environment for developing substructure-aware protein models☆16Mar 26, 2026Updated 5 months ago
- Software for automated molecular dynamics exploration☆131Updated this week
- TrajCast: Force-Free MD Through Autoregressive Equivariant Networks☆89Sep 23, 2025Updated 11 months ago
- Machine-learning force-field (MLFF)–native molecular modeling platform☆73Aug 10, 2026Updated 2 weeks ago
- ☆17Dec 20, 2025Updated 8 months ago
- Free Energy Landscape analysis tool.☆32Aug 17, 2026Updated 2 weeks ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆50Nov 4, 2025Updated 9 months ago
- A comprehensive tool that automates the extraction of global and local cDFT descriptors using Multiwfn.☆18Mar 24, 2026Updated 5 months ago
- PyRosetta4 v2026-02-06 with (Global Interpreter Lock) disabled☆20Mar 22, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Simulating protein interactions with organometallic ligands using Universal Model of Atoms (UMA)☆15Apr 13, 2026Updated 4 months ago
- MDANCE: Hyper-efficient tools to process molecular dynamics simulations.☆147Jul 7, 2026Updated last month
- A modular and user-friendly Python framework for protein and ligand engineering workflows on SLURM clusters☆104Jul 28, 2026Updated last month
- A deep learning system that predicts Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties from molecular stru…☆18Dec 8, 2025Updated 8 months ago
- ☆46Dec 30, 2025Updated 8 months ago
- benchmarking AI-powered docking methods from the perspective of virtual screening☆36Dec 26, 2024Updated last year
- ☆27Jun 2, 2026Updated 2 months ago
- Protein Engineering via Exploration of an Energy Landscape☆143Aug 12, 2026Updated 2 weeks ago
- A toolbox for Alphafold-related workflows☆22Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆86May 18, 2026Updated 3 months ago
- ☆23Oct 2, 2024Updated last year
- One protein is all you need (ICLR 2026)☆116Aug 1, 2026Updated 3 weeks ago
- User friendly molecular dynamics simulation combining Modeller, OpenMM and Google Colab: A complete guide☆27Aug 8, 2026Updated 3 weeks ago
- ☆19Apr 13, 2026Updated 4 months ago
- ☆146Jul 14, 2026Updated last month
- Repository for Q and Q-FEP modules☆27Updated this week