pyplate-hte 0.2

A Python tool for designing chemistry experiments in plate format

PyPlate

An open-source Python tool for high-throughput chemistry.

Introduction

PyPlate provides tools for the design and implementation of high-throughput chemistry experiments (in particular, reaction screening). It allows the user to define a space of experimental parameters to be explored, select points in that space for experimentation, and design liquid/solid handling steps to implement those experiments in 96 well plates.

Installation

PyPlate requires Python 3.10 or later.

pip install pyplate-hte

To view plate visualizations, you will need an interactive Python shell like Jupyter.

Philosophy

All experiments are divided into a design phase and an implementation phase.

Design Phase: TBD

Implementation Phase: PyPlate mimics the physical process of dispensing solids or liquids into plates. Substances are placed into Containers and dispensed into Plates. The instructions for creating a set of plates are grouped into Recipe objects.

• add something about how to check that the implementation and design are consistent
• All objects in PyPlate are considered immutable.

Quick Start

from pyplate import Substance, Container, Plate, Recipe

triethylamine = Substance.liquid(name="triethylamine", mol_weight=101.19, density=0.726)
DMSO = Substance.liquid(name="DMSO", mol_weight=78.13, density=1.1004)

triethylamine_50mM = Container.create_solution(solute=triethylamine, solvent=DMSO, concentration='50 mM',
                                               total_quantity='10 mL')
plate = Plate(name='plate', max_volume_per_well='50 uL')

recipe = Recipe().uses(triethylamine_50mM, plate)
recipe.transfer(source=triethylamine_50mM, destination=plate[2:7, 2:11], quantity='10 uL')
results = recipe.bake()
triethylamine_50mM = results[triethylamine_50mM.name]
plate = results[plate.name]

recipe.visualize(what=plate, mode='final', unit='uL', timeframe=0)

License

Licensed under the Apache License, Version 2.0 (the "License") You may obtain a copy of the License at https://www.apache.org/licenses/LICENSE-2.0