Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties
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Updated
Apr 3, 2019 - Python
Easy-to-use python module for training multi-layer perceptrons (neural networks) from molecular SMILES and known associated properties
Python package for removal of duplicates in (solid state) structural databases
Chemios Framework 👨🏾🔬: Accelerating Science through Automation
High-level module for ultra-fast structural optimisation and property calculations of organic co-polymers.
Code and analysis scripts for analyzing newly transcribed RNA in large-scale compound screen experiments
Crow Really Outta Work - User Friendly GUI for High Throughput Experimentation Automation
🏮 Parsing and analysing platereader absorbance and fluorescence 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.
Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding
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.
Scripts for use with BIOMERO
BIOMERO - A python library for easy connecting between OMERO (jobs) and a Slurm cluster
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