Explore the cancer relevance of your gene list

Chemios Framework 👨🏾‍🔬: Accelerating Science through Automation

BIOMERO - A python library for easy connecting between OMERO (jobs) and a Slurm cluster

Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties

This pipeline facilitates setting up ligand docking against a protein using AutoDock-GPU. It streamlines the process of docking a ligand library onto a protein structure, leveraging the enhanced performance of AutoDock-GPU for faster results.

Crow Really Outta Work - User Friendly GUI for High Throughput Experimentation Automation

Code for an artificial neural net classifier of small molecule GPCR activity

Scripts for use with BIOMERO

A tool for automatic neurite outgrowth and cell viability estimation using deep learning and graph theory.

This repository provides an automated docking solution for ligands and receptor proteins using AutoDock Vina and P2Rank, enhanced with a Streamlit-based web interface for simple and intuitive browser-based operation. It supports high-throughput workflows and includes SLURM integration for advanced task management while remaining easy to use locally

Frontiers in 2D Perovskene: Tailoring ABC3 Perovskite Structures for Next-Generation Material Applications

High-level module for ultra-fast structural optimisation and property calculations of organic co-polymers.

💊 A project examining data from High Throughput Screening center in Poznan.

Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding

Novel ultrafast suite for high-throughput & high-content multiparameter screening as in drug discovery. It has unique modules for QC, bias correction, similarity measurement, clustering and visualization. It can process hundreds of samples with many markers in a few hours not days & circumvents bath effect. It couples with any plate reader.

Python package for removal of duplicates in (solid state) structural databases

High-throughput detection and enumeration of tumor cells in blood using Digital Holographic Microscopy (DHM) and Deep Learning.

Tox21 quantitative high throughput screening (qHTS) 10K library data

EPA data on 1,800 chemicals across 700+ assay endpoints

This project aims to develop a chemical probe of CHIKV-nsP3-macrodomain starting from a fragment screen