Chemios Framework 👨🏾🔬: Accelerating Science through Automation
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Updated
Dec 10, 2021 - Python
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
High-level module for ultra-fast structural optimisation and property calculations of organic co-polymers.
Scripts for use with BIOMERO
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
Python package for removal of duplicates in (solid state) structural databases
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.
Code and analysis scripts for analyzing newly transcribed RNA in large-scale compound screen experiments
🏮 Parsing and analysing platereader absorbance and fluorescence data.
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