☆65Mar 18, 2025Updated last year
Alternatives and similar repositories for pymol-mcp
Users that are interested in pymol-mcp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- mcp server for pymol for conversational protein display☆15Jul 12, 2026Updated 2 weeks ago
- Features Based Conformational Clustering of MD trajectories. See details at:☆11Nov 20, 2025Updated 8 months ago
- Control PyMOL with natural language prompts using an LLM to make better figures, analyze structures, and more...☆39May 19, 2026Updated 2 months ago
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆31Mar 19, 2026Updated 4 months ago
- ☆13May 24, 2026Updated 2 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.
- ☆13Dec 29, 2022Updated 3 years ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆24Oct 31, 2025Updated 8 months ago
- MCP server that enables language models to interact with RDKit through natural language☆41May 4, 2026Updated 2 months ago
- Let LLM run your MDs.☆263Sep 18, 2025Updated 10 months ago
- ☆51Jun 15, 2026Updated last month
- ☆12Oct 9, 2024Updated last year
- A molecular machine learning MCP server that enables LLMs to handle molecular data☆28Jun 29, 2026Updated last month
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Control PyMOL via Claude Code☆36May 2, 2026Updated 2 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.
- ☆18Aug 28, 2025Updated 11 months ago
- ☆40Feb 20, 2026Updated 5 months ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆49Nov 4, 2025Updated 8 months ago
- PyMolAI provides Agentic interface to PyMol workflows, built on top of Open Source version of PyMol.☆163Feb 23, 2026Updated 5 months ago
- material for cheminfo tutorial☆13Oct 26, 2023Updated 2 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- Protein Engineering via Exploration of an Energy Landscape☆141Jul 9, 2026Updated 2 weeks ago
- Cheminformatic extension for SQLAlchemy☆18May 30, 2026Updated last month
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years 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.
- ☆85May 18, 2026Updated 2 months ago
- A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM☆45Mar 13, 2023Updated 3 years ago
- ☆40Feb 5, 2024Updated 2 years ago
- Weighted Ensemble Data Analysis and Plotting☆27Jul 17, 2026Updated last week
- Reproducible cleaning and standardization of SMILES-based chemical datasets☆20Apr 15, 2026Updated 3 months ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆92Sep 2, 2025Updated 10 months ago
- ChatMol☆360Mar 16, 2026Updated 4 months ago
- A meticulously curated resource list focused on computational methods for drug discovery.☆132Jul 16, 2026Updated last week
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆184Jul 8, 2026Updated 3 weeks ago
- ☆19Feb 27, 2026Updated 5 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- A toolbox for Alphafold-related workflows☆22Jul 9, 2026Updated 2 weeks ago
- ☆72Feb 13, 2026Updated 5 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆92Oct 6, 2025Updated 9 months ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆15Jun 23, 2020Updated 6 years ago