Python code to control laboratory hardware and perform Bayesian reaction optimization on the MIT Make-It system for chemical synthesis

Overview

Description

This repository contains code accompanying the following paper on the Make-It robotic flow chemistry platform developed by the Jensen Research Group at MIT:

Bayesian Optimization of Computer-Proposed Multistep Synthetic Routes on an Automated Robotic Flow Platform (preprint)

Contents

The code is organized into two main folders:

  • hardware_control contains Python classes developed to interface with common lab equipment for chemical synthesis (e.g., pumps, valves, HPLC)
  • dragonfly_bayesopt_demo contains an example Jupyter notebook demonstrating how to use the Dragonfly Bayesian optimization algorithm (developed by Kandasamy et al., paper) for single- and multi-objective optimization and to visualize response surfaces

Additional documentation is provided in each folder.

Significant contributions to the hardware control code were made by authors of the previous report on this platform.

Funding

This work was funded by the DARPA Make-It and Accelerated Molecular Discovery programs under contracts ARO W911NF-16-2-0023 and HR00111920025, respectively.

Owner
Anirudh Nambiar
Chemical Engineering PhD student in the Jensen Research Group at MIT
Anirudh Nambiar
A student information management system in Python

Student-information-management-system 本项目是一个学生信息管理系统,这个项目是用Python语言实现的,也实现了图形化界面的显示,同时也实现了管理员端,学生端两个登陆入口,同时底层使用的是Redis做的数据持久化。 This project is a stude

liuyunfei 7 Nov 15, 2022
Extend the maya channel box with searchability and colour

channel-box-plus will add search-ability over its attributes, and it will colour user defined attributes, making them easier to distinguish.

Robert Joosten 12 Jun 08, 2022
Attempt at creating organized collection of little handy snippets of code I'm receiving along the way

ChaosCode Attempt at creating organized collection of little handy snippets of code I'm receiving along the way I always considered coding and program

INFU 4 Nov 26, 2022
A simple weather app.

keather A simple weather app. This is currently not finished. Dependencies: yay -S python-beautifulsoup4 tk

1 Jan 09, 2022
bamboo-engine 是一个通用的流程引擎,他可以解析,执行,调度由用户创建的流程任务,并提供了如暂停,撤销,跳过,强制失败,重试和重入等等灵活的控制能力和并行、子流程等进阶特性,并可通过水平扩展来进一步提升任务的并发处理能力。

bamboo-engine 是一个通用的流程引擎,他可以解析,执行,调度由用户创建的流程任务,并提供了如暂停,撤销,跳过,强制失败,重试和重入等等灵活的控制能力和并行、子流程等进阶特性,并可通过水平扩展来进一步提升任务的并发处理能力。 整体设计 Quick start 1. 安装依赖 2. 项目初始

腾讯蓝鲸 96 Dec 15, 2022
🪄 Auto-generate Streamlit UI from Pydantic Models and Dataclasses.

Streamlit Pydantic Auto-generate Streamlit UI elements from Pydantic models. Getting Started • Documentation • Support • Report a Bug • Contribution •

Lukas Masuch 103 Dec 25, 2022
Rick Astley Language is a rick roll oriented, dynamic, strong, esoteric programming language.

Rick Roll Language / Rick Astley Language A rick roll oriented, dynamic, strong, esoteric programming language. Prolegomenon The reasons that I made t

Rick Roll Programming Language 658 Jan 09, 2023
Advanced IPv4 Subnet Calculator in Python3

Advanced IPv4 Subnet Calculator in Python3 Table of Contents Getting Started Installation How it works? SVI Configuration Template Previews Getting St

Osama Abbas 1 May 10, 2022
TikTok Auto Claimer Made By Aim low!#9999 Leaked By bazooka#0001

Zues Auto Claimer Leaked By bazooka#0001 put proxies in prox.txt put ssid in sid.txt put all users you want to target in user.txt for the login just t

1 Jan 14, 2022
Is a polybar module that will show you your progress in Hack The Box

HTB-Status for Polybar Is a polybar module that will show you your progress in Hack The Box indicating your current rank, global rank, points and resp

bitc0de 8 Jan 14, 2022
Release for Improved Denoising Diffusion Probabilistic Models

improved-diffusion This is the codebase for Improved Denoising Diffusion Probabilistic Models. Usage This section of the README walks through how to t

OpenAI 1.2k Dec 30, 2022
Make your functions return something meaningful, typed, and safe!

Make your functions return something meaningful, typed, and safe! Features Brings functional programming to Python land Provides a bunch of primitives

dry-python 2.5k Jan 03, 2023
Blender addon - Breakdown in object mode

Breakdowner Breakdown in object mode Download latest Demo Youtube Description Same breakdown shortcut as in armature mode in object mode Currently onl

Samuel Bernou 4 Mar 30, 2022
Solutions for the Advent of Code 2021 event.

About 📋 This repository holds all of the solution code for the Advent of Code 2021 event. All solutions are done in Python 3.9.9 and done in non-real

robert yin 0 Mar 21, 2022
CNKD - Minimalistic Windows ransomware written in Python

CNKD Minimalistic Windows ransomware written in Python (Still a work in progress

Alex 2 May 27, 2022
Repo to demo translating colab/jupyter notebook to streamlit webapp

Repo to demo translating colab/jupyter notebook to streamlit webapp

Marisa Smith 2 Feb 02, 2022
It converts ING BANK account historic into a csv file you can import in HomeBank application.

ing2homebank It converts your ING Bank account historic csv file into another csv file you can import in HomeBank application

1 Feb 14, 2022
Data Science Course at Dept. of Computer Engineering, Chula 2022

2110446 Data Science Course at Chula 2022 Short links for exercises: Week1: Intro to Numpy, Pandas Numpy: https://colab.research.google.com/github/kao

Kao Panboonyuen 17 Nov 27, 2022
Web-based Sudoku solver built using Python. A demonstration of how backtracking works.

Sudoku Solver A web-based Sudoku solver built using Python and Python only The motivation is to demonstrate how Backtracking algorithm works. Some of

Jerry Ng 2 Dec 31, 2022
Force you (or your user) annotate Python function type hints.

Must-typing Force you (or your user) annotate function type hints. Notice: It's more like a joke, use it carefully. If you call must_typing in your mo

Konge 13 Feb 19, 2022