Augmented-Nature / ChEMBL-MCP-ServerLinks
A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
☆69Updated 3 weeks 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
Sorting:
- CheMeleon Descriptor-based Foundation Model☆92Updated 2 months ago
- Python-based GUI to collect Feedback of Chemist in Molecules☆52Updated last year
- Code Space of SynLlama☆37Updated last week
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆76Updated 3 weeks ago
- In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them☆32Updated 9 months ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆50Updated 2 weeks ago
- Machine learning accelerated docking screens☆65Updated 10 months ago
- Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium☆45Updated last month
- ☆47Updated 7 months ago
- A graph-based workflow manager for computational chemistry pipelines☆68Updated 7 months ago
- ☆58Updated 4 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆38Updated 2 weeks ago
- Diffusion-based molecule conformer generation☆43Updated last year
- Mordred port in cpp☆50Updated 8 months ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆63Updated last year
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 8 months ago
- Sample-efficient Generative Molecular Design using Memory Manipulation☆64Updated 5 months ago
- ☆29Updated 2 years ago
- A fragment-based molecular assembly toolkit☆40Updated last month
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆41Updated last year
- Curate datasets with ease.☆32Updated last year
- Converts clipboard content to smiles and much more☆64Updated last year
- Molecular Library Toolbox☆61Updated last month
- Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.☆89Updated 3 weeks ago
- The official repository of Uni-pKa☆84Updated 7 months ago
- Recursion's molecular foundation model☆64Updated 5 months ago
- ☆90Updated last year
- Fully automated high-throughput MD pipeline☆84Updated 2 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆117Updated last week
- ☆35Updated last year