A model-context-protocol server for molecules.
☆95Apr 20, 2025Updated last year
Alternatives and similar repositories for molecule-mcp
Users that are interested in molecule-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:
- Let LLM run your MDs.☆262Sep 18, 2025Updated 9 months ago
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆225Apr 13, 2026Updated 2 months ago
- ☆68Apr 28, 2025Updated last year
- ☆29Feb 27, 2026Updated 4 months ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆20Nov 28, 2023Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated 2 weeks ago
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆17Sep 13, 2025Updated 9 months ago
- An intelligent command line interface for ChimeraX☆23Jun 14, 2026Updated 2 weeks ago
- Toolkit for alphafold3 input and output files☆103Jun 15, 2026Updated 2 weeks ago
- ☆61Mar 18, 2025Updated last year
- BINANA (BINding ANAlyzer) analyzes the geometries of predicted ligand poses to identify molecular interactions that contribute to binding…☆25Jun 30, 2025Updated last year
- A tool for protein and protein complex structure prediction.☆28Jun 13, 2025Updated last year
- ☆18Sep 20, 2022Updated 3 years ago
- ChatMol☆355Mar 16, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆18Mar 13, 2024Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆31Jun 17, 2026Updated 2 weeks ago
- ☆17Feb 27, 2026Updated 4 months ago
- A generic mechanism for describing views used in molecular visualizations☆65Mar 1, 2026Updated 4 months ago
- Claude Code skills for protein design☆143Jun 11, 2026Updated 3 weeks ago
- Web application for protein-ligand binding sites analysis and visualization☆20Dec 27, 2025Updated 6 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆31Sep 17, 2025Updated 9 months ago
- ☆32May 25, 2026Updated last month
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Mar 6, 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.
- ☆13Apr 4, 2025Updated last year
- Structure prediction of alternative protein conformations☆85Feb 24, 2025Updated last year
- It's a package for evaluation of predicted poses, right?☆77Mar 27, 2026Updated 3 months ago
- Ligand-Protein Interaction Mapping☆81Mar 31, 2026Updated 3 months ago
- Scripts to run AlphaFold3, Boltz-2, Chai-1, OpenFold3, Protenix & RF3 with MMseqs2 MSAs and custom templates.☆111Jun 15, 2026Updated 2 weeks ago
- DeepMainmast☆15Jun 18, 2026Updated 2 weeks ago
- mdml: Deep Learning for Molecular Simulations☆55May 17, 2025Updated last year
- ☆15Jan 31, 2026Updated 5 months ago
- The LoCoHD metric for protein-protein structure comparison☆15Oct 1, 2025Updated 9 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆24Sep 1, 2025Updated 10 months ago
- Clusters protein chains based on CA distance difference☆18Jun 5, 2026Updated 3 weeks ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆123May 1, 2026Updated 2 months ago
- ☆13Jul 5, 2024Updated last year
- A NumPy port of the foldseek code for encoding protein structures to 3di.☆82Aug 22, 2025Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆51Jun 5, 2026Updated 3 weeks ago
- code for SeqDance/ESMDance, biophysics-informed protein language models☆60Jan 28, 2026Updated 5 months ago