A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
☆83Dec 21, 2025Updated 3 months ago
Alternatives and similar repositories for ChEMBL-MCP-Server
Users that are interested in ChEMBL-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 for accessing the PubChem chemical database. This server provides access to over 110 …☆36Dec 21, 2025Updated 3 months ago
- Tools for molecular Docking☆27Jul 24, 2025Updated 8 months ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆13Sep 27, 2024Updated last year
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆28Mar 30, 2026Updated 2 weeks ago
- Ready-To-Use Pymol Plugin for Docking and Minimization☆12Nov 15, 2025Updated 4 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 7 months ago
- LillyMol Public Code☆16Updated this week
- Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding☆38Nov 25, 2025Updated 4 months ago
- [CVPR 26] MarkushGrapher-2: End-to-end Multimodal Recognition of Chemical Structures☆48Updated this week
- ☆13Oct 9, 2024Updated last year
- Code Space of SynLlama☆47Dec 16, 2025Updated 3 months ago
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated 11 months ago
- PandaDock: Physics based Molecular Docking with GNN Scoring☆95Feb 25, 2026Updated last month
- A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of …☆16Apr 20, 2025Updated 11 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Going through a setting up a basic cheminformatics pipeline for the target EGFR☆19Apr 1, 2025Updated last year
- Python package for InfoAlign☆13Oct 14, 2024Updated last year
- ☆32Mar 10, 2026Updated last month
- Plugin for folding sequences directly in PyMOL☆29Aug 5, 2025Updated 8 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆55Jun 19, 2025Updated 9 months ago
- Curate datasets with ease.☆32Sep 19, 2024Updated last year
- MCP server that enables language models to interact with RDKit through natural language☆38Mar 30, 2026Updated 2 weeks ago
- ☆20Jul 3, 2024Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the UniProt protein database.☆19Dec 21, 2025Updated 3 months ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Mar 30, 2026Updated 2 weeks ago
- Alexandria Chemistry Toolkit☆16Updated this week
- BitBIRCH clustering algorithm☆127Oct 21, 2025Updated 5 months ago
- scikit-learn classes for molecular vectorization using RDKit☆201Nov 2, 2025Updated 5 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆39Dec 27, 2023Updated 2 years ago
- Refined and extended version of ChemTS☆121Apr 5, 2026Updated last week
- Agentic framework for computational chemistry and materials science workflows☆93Apr 6, 2026Updated last week
- 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.
- Quick mapping of Uniprot sequences to PDB structures☆36Apr 1, 2025Updated last year
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆12Jun 3, 2025Updated 10 months ago
- CheMeleon Descriptor-based Foundation Model☆129Feb 11, 2026Updated 2 months ago
- PKSmart: Predicting PK properties using Chemical Structures☆18Sep 26, 2025Updated 6 months ago
- ☆28Mar 23, 2026Updated 3 weeks ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆154Mar 31, 2026Updated 2 weeks ago
- Interface-aware molecular generative framework for protein-protein interaction modulators☆19Dec 22, 2024Updated last year