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A Package for Clean Chemical Inventories

R 5 2 Updated Sep 14, 2022

(inactive) A web application client for chemical data analysis and visualization.

JavaScript 16 2 Updated Jun 22, 2022

TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available about potential targets

Jupyter Notebook 32 15 Updated Jul 5, 2024

Code and datasets from the manuscript "Matched Pairs Demonstrate Robustness Against Inter-Assay Variability".

Jupyter Notebook 3 2 Updated Jan 21, 2025

Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".

Jupyter Notebook 38 8 Updated Jan 10, 2024
Python 2 2 Updated Feb 25, 2025

CellPhoneDB can be used to search for a particular ligand/receptor, or interrogate your own HUMAN single-cell transcriptomics data.

Jupyter Notebook 386 54 Updated Jan 6, 2025

This is a project that scrapes PubChem data for GHS hazard codes given CAS numbers

Jupyter Notebook 4 Updated Nov 7, 2021

Deep-learning models for Drug Discovery and Quantum Chemistry

Python 27 6 Updated Aug 28, 2017

This library intends to provide simplicity when accessing and parsing data from Power of 10, a UK-based site that provides a comprehensive collection of athete performances and rankings.

Python 12 10 Updated Feb 12, 2024

Repository for the code associated with the paper 'AI4DR: Development and Implementation of an Annotation System for High-Throughput Dose-Response Experiments'

Jupyter Notebook 5 Updated Dec 19, 2022

Fitting the Hill Equation to Experimental Data

Python 12 4 Updated Mar 3, 2025

Data schema used for the cheminfo ELN

3 2 Updated Feb 16, 2022

A Python library for converting instrument data into Allotrope Simple Model (ASM)

Python 63 32 Updated May 12, 2025

Computational Suite for Bioinformaticians and Biologists (CSBB) is a RShiny application developed with an intention to empower researchers from wet and dry lab to perform downstream Bioinformatics …

R 36 18 Updated Apr 5, 2023

Python for Hamilton liquid handling robots

Python 164 40 Updated Mar 20, 2025

Molecular Generation by Fast Assembly of SMILES Fragments

OCaml 54 8 Updated Oct 31, 2024

This repository contains RanDepict, an easy-to-use utility to generate a big variety of chemical structure depictions (random depiction styles and image augmentations) based on RDKit, CDK, Indigo a…

Python 26 10 Updated Oct 19, 2023

Reproducible Data Science with Python

Jupyter Notebook 31 12 Updated Jan 10, 2023

Programming the Semantic Web

Python 5 2 Updated May 3, 2018

An R package for the processing of plate reader and flow cytometry data. This includes: normalisation and calibration of plate reader data, and removing debris and doublets and calibration of flow …

R 10 6 Updated Mar 18, 2025

Python library for generating Autoprotocol

Python 122 42 Updated Aug 20, 2023

Images and other data from the JUMP Cell Painting Consortium

Shell 169 18 Updated Feb 16, 2025

Cookiecutter template for an R analysis project

Python 15 6 Updated Apr 4, 2018

eLabFTW REST API v2 Python library

Shell 29 6 Updated Apr 5, 2025

Laboratory Information Management System

Perl 32 11 Updated Oct 30, 2020

Quantori Python SDK for PerkinElmer Signals Notebook

Python 12 1 Updated Feb 23, 2023

Tutorial on how to use Sapio platform in Python 3.

Python 37 9 Updated Feb 14, 2025

Example usage of the Benchling API: https://docs.benchling.com/

Python 32 11 Updated Mar 8, 2024
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