sustainable-processes Goto Github PK

bioindustrial-park

BioSTEAM's Premier Repository for Biorefinery Models and Results

biosteam

The Biorefinery Simulation and Techno-Economic Analysis Modules; Life Cycle Assessment; Chemical Process Simulation Under Uncertainty

blitz-bayesian-deep-learning

A simple and extensible library to create Bayesian Neural Network layers on PyTorch.

bo_mixed

centripeta

Code for the paper "Optimisation of formulations using robotic experiments driven by machine learning DoE"

chemical-parameter-sharing

A meta learning approach to reaction condition prediction using the implications of named reactions

chemopt

Optimizing Chemical Reactions with Deep Reinforcement Learning

chemprop

Message Passing Neural Networks for Molecule Property Prediction

formulations-prep

Automated viscous liquid handling with the Opentrons OT-2 and gravimetric analysis to prepare liquid formulations

formulations_ml-doe

Weighted-space filling designs for liquid formulations

gryffin

htbo_app

hte-ml

impurity-project

Contains developing code base for predicting impurities.

multitask

Accelerating Bayesian reaction optimization with limited data

orderly

Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)

pd-catalysed_c-h_activation_reaction_prediction

This repository is associated to the paper "In silico rationalisation of selectivity and reactivity in Pd-catalysed C-H activation reactions"

peego

Point Exchange Efficient Global Optimisation (PEEGO) algorithm. This repository is associated to the paper "Computer-aided Design of Formulated Products: a Bridge Design of Experiments for Ingredient Selection" .

phbot

General "physics-informed" ML-driven pH adjustment robot

picosdk-python-wrappers

A set of Python bindings and examples for PicoScope® oscilloscope and PicoLog® data logger products.

pint

Operate and manipulate physical quantities in Python

pistachio-python

Unofficial python SDK for the Pistachio database

protodeboronation-prediction

Algorithmic prediction of protodeboronation rate with pH (published!)

pura

Clean chemical data quickly

python-autocite

Automatically generate citations from URLs

quantulum3

Library for unit extraction - fork of quantulum for python3

scikit-quant

stability-computer-vision

Computer vision for phase stability detection of liquid formulations

summit

Optimising chemical reactions using machine learning

thermopyl

Tools for ThermoML parsing