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.
☆37Dec 21, 2025Updated 5 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.☆83Dec 21, 2025Updated 5 months ago
- Cheminformatics tools that work natively with Google tools such as Sheets and BigQuery☆17Jul 12, 2024Updated last year
- A Model Context Protocol (MCP) server that provides access to the Protein Data Bank (PDB) - the worldwide repository of information about…☆24Dec 21, 2025Updated 5 months ago
- Data hub and data tool repository related to the NIST PFAS Program.☆12Sep 26, 2024Updated last year
- A comprehensive Model Context Protocol (MCP) server that provides access to the AlphaFold Protein Structure Database through a rich set o…☆34Dec 21, 2025Updated 5 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.
- A heterogeneous OpenCL implementation of QuickVina2☆17Jan 7, 2023Updated 3 years ago
- Fast Molecular Property Prediction with mordredcommunity☆58Dec 12, 2025Updated 5 months ago
- SMARTS sanitization☆33Mar 2, 2026Updated 2 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated 2 years ago
- Tools for molecular Docking☆27Jul 24, 2025Updated 10 months ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆20Dec 22, 2024Updated last year
- ☆43Dec 2, 2025Updated 5 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- ☆13Sep 4, 2021Updated 4 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆13Jun 9, 2021Updated 4 years ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the UniProt protein database.☆19Dec 21, 2025Updated 5 months ago
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Revision of previous Library Bridger application. Features much cleaner code and refined UI.☆13Feb 27, 2023Updated 3 years ago
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated 9 months ago
- scikit-learn classes for molecular vectorization using RDKit☆201Nov 2, 2025Updated 6 months ago
- MCP server that enables language models to interact with RDKit through natural language☆40May 4, 2026Updated 3 weeks ago
- Some ideas on methods for comparing classification models☆10May 17, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Software for analyzing high dimensional dose-response data☆19Mar 18, 2026Updated 2 months ago
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆24Sep 5, 2025Updated 8 months ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Oct 17, 2023Updated 2 years ago
- Useful functions for working with small molecules☆60Feb 15, 2026Updated 3 months ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- Making Metagenomes Manageable☆12Apr 4, 2017Updated 9 years ago
- Python code to automatically interact with PDBePISA web server☆10Jun 27, 2022Updated 3 years ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆322Oct 8, 2025Updated 7 months ago
- Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"☆24Feb 1, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- The Backend for findcovidtesting.com☆12Sep 16, 2022Updated 3 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- MOBS is a global, open-access database of standardized body size measurements for marine animal species.☆26Mar 28, 2026Updated last month
- Python package for the ASKCOS platform for prediction of chemical reactivity☆24Feb 24, 2022Updated 4 years ago
- A python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 3 years ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Feb 17, 2025Updated last year
- EasyFigAssembler simplifies the assembly of publication-quality scientific figures. It helps free scientists from technical burdens, so w…☆31Dec 28, 2025Updated 4 months ago