A comprehensive Model Context Protocol (MCP) server for accessing the PubChem chemical database. This server provides access to over 110 million chemical compounds with extensive molecular properties, bioassay data, and chemical informatics tools.
☆47Dec 21, 2025Updated 8 months ago
Alternatives and similar repositories for PubChem-MCP-Server
Users that are interested in PubChem-MCP-Server are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆89Dec 21, 2025Updated 8 months ago
- A Model Context Protocol (MCP) server that provides access to the Protein Data Bank (PDB) - the worldwide repository of information about…☆25Dec 21, 2025Updated 8 months ago
- A comprehensive Model Context Protocol (MCP) server that provides access to the AlphaFold Protein Structure Database through a rich set o…☆35Dec 21, 2025Updated 8 months ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the UniProt protein database.☆20Dec 21, 2025Updated 8 months ago
- MCP server that enables language models to interact with RDKit through natural language☆42May 4, 2026Updated 3 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.
- Automagically resolve the best structure for molecules across several databases from identifiers☆49Aug 21, 2026Updated last week
- ☆24Nov 24, 2024Updated last year
- Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery☆17Jul 12, 2024Updated 2 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- Umbrella repo for the ToxMCP Suite (docs, links, quickstart).☆26Jul 27, 2026Updated last month
- ☆35Aug 3, 2026Updated last month
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Jul 4, 2026Updated last month
- ☆80Updated this week
- ANNalog package☆26Aug 27, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Python wrapper for U.S. EPA's Center for Computational Toxicology and Exposure (CTE) APIs.☆20Jul 20, 2026Updated last month
- Repository for training, evaluating and using synthesis prediction models☆18Aug 13, 2025Updated last year
- A heterogeneous OpenCL implementation of QuickVina2☆17Jan 7, 2023Updated 3 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- AI-augmented R-group exploration in medicinal chemistry☆20Sep 25, 2024Updated last year
- ☆13Apr 15, 2024Updated 2 years ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆27Oct 17, 2023Updated 2 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆28Aug 4, 2026Updated last month
- App for serotonergic targets☆12Jan 8, 2026Updated 7 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This is the official implementation of the paper "A Deep Learning Approach for Rational Ligand Generation with Property Control via React…☆21Sep 28, 2024Updated last year
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the l…☆16Jan 21, 2026Updated 7 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆35Aug 26, 2026Updated last week
- Fast Molecular Property Prediction with mordredcommunity☆60Dec 12, 2025Updated 8 months ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- SMARTS sanitization☆34Mar 2, 2026Updated 6 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.
- Contributed and additional nodes for maize☆23Feb 18, 2026Updated 6 months ago
- Chemical Space Visualization☆21Aug 11, 2026Updated 3 weeks ago
- ☆40Feb 20, 2026Updated 6 months ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- Virtual Medicinal Chemist, SAR reasoning☆37Jun 9, 2026Updated 2 months ago