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

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

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

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

Scripts for use with BIOMERO

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

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

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

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.

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

An R package that enables the user to perform High Throughput Biological Screening.

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

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

Catalyst Library for Material Discovery Studies, including Transition Metal and Transition Metal Derivatives. Materials are compiled from online open-source databases, as well as own calculations. A GUI is included for convenient input file generation. Please expect this to be updated regularly.