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 9 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 9 months ago
- A Model Context Protocol (MCP) server that provides access to the Protein Data Bank (PDB) - the worldwide repository of information about…☆26Dec 21, 2025Updated 9 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 9 months ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the UniProt protein database.☆20Dec 21, 2025Updated 9 months ago
- MCP server that enables language models to interact with RDKit through natural language☆42May 4, 2026Updated 4 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.
- Automagically resolve the best structure for molecules across several databases from identifiers☆50Updated this week
- ☆24Nov 24, 2024Updated last year
- Some ideas on methods for comparing classification models☆10May 17, 2020Updated 6 years ago
- 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
- ☆35Sep 3, 2026Updated 3 weeks ago
- Pretrain Graph Transformers on molecular descriptors via masked autoencoding.☆26Updated this week
- Umbrella repo for the ToxMCP Suite (docs, links, quickstart).☆27Jul 27, 2026Updated last month
- ANNalog package☆27Aug 27, 2026Updated 3 weeks ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆89Sep 16, 2026Updated last week
- Python wrapper for U.S. EPA's Center for Computational Toxicology and Exposure (CTE) APIs.☆20Jul 20, 2026Updated 2 months ago
- Repository for training, evaluating and using synthesis prediction models☆19Aug 13, 2025Updated last year
- A heterogeneous OpenCL implementation of QuickVina2☆19Jan 7, 2023Updated 3 years ago
- ☆13Aug 6, 2025Updated last year
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 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
- 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.
- Automated analysis of LCMS data for high throughput chemistry experiments☆30Aug 4, 2026Updated last month
- App for serotonergic targets☆12Jan 8, 2026Updated 8 months ago
- 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 8 months ago
- SECS is a machine learning framework designed for structure elucidation from spectra such as NMR, IR and MS.☆36Aug 26, 2026Updated 3 weeks ago
- Fast Molecular Property Prediction with mordredcommunity☆61Dec 12, 2025Updated 9 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
- 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.
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- SMARTS sanitization☆34Mar 2, 2026Updated 6 months ago
- Contributed and additional nodes for maize☆23Feb 18, 2026Updated 7 months ago
- ☆40Feb 20, 2026Updated 7 months ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆21Oct 19, 2021Updated 4 years ago
- Large scale chemical space visualization using BBLean clustering based linear maps.☆28Updated this week
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago