A Python tool for designing chemistry experiments in plate format
Project description
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. Substance
s are placed into Container
s and dispensed into Plate
s. 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)
Documentation is available at ReadTheDocs.
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
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