Cheminformatics Microservices UI - A modern interface for chemical data analysis

Before starting a new drug discovery project, it’s useful to compile existing data on compounds and targets of interest. Open access bioacti...

The ESPOD fellowship builds on the collaborative relationship between EMBL-EBI and the Wellcome Sanger Institute, offering projects that combine experimental (wet-lab) and computational (dry-lab) appr...

Almost exactly 6 months ago, I took over the leadership of the Chemical Biology Services team at EMBL-EBI, Hinxton, UK. This is the team th...

Next week I wlil be attending the Computer Aided Drug Design Gordon Research Conference (CADD GRC) in the US (Maine). The last (and only)...

Here the authors combine a deep generative model with structure-based drug design and prospectively validate functionally active, nanomolar, A2A adenosine receptor ligands and solve their crystal stru...

If our data resources have ever been of use to you, here’s your chance to give back! EMBL-EBI’s impact survey aims to understand the usage,...

A Hands-On Workflow Powered by ChEMBL Data

Recently I have interest to MCP. Because MCP can engage task and API with natural language so we don't need code (BTW, I love writing code!!!!). Today I tried to make SQL query with MCP. I used Claude desktop. At first I modfied config file shown below. postgres part is added. $ vim ~/.config/Claude/claude_desktop_config.json { "mcpServers": { "weather": { "command": "uv", "args": [ "--directory", "/home/iwatobipen/dev/weather", "run", "weather.py" ] }, "chemblmcp": { "command": "uv", "args": [ "--directory", "/home/iwatobipen/dev/chembl_mcp", "run", "chemblmcp.py" ] }, # this part is used for communicating postgres!!!

GAMESS is one of the major program of open source program of quantum chemistry. My former boss is QC/QM expart and I learned usefullnes of GAMESS. So I like GAMESS but recently I don't have opportunity to use GAMESS. Today I tried to compile new version of GAMESS on Ubuntu24 because FMOKit is publised 🙂 At first, I registered GAMESS HP…

We are looking for a talented frontend developer to join the Chemical Biology team at the European Bioinformatics Institute (EMBL-EBI) located on the Wellcome Genome Campus near Cambridge in the UK. T...

'First DREAM Target 2035 Drug Discovery Challenge' (Synapse ID: syn65660836) is a project on Synapse. Synapse is a platform for supporting scientific collaborations centered around shared biomedic...