Dark Reactions Project

DRP

ESCALATE

ESCALATE (Experiment Specification, Capture and Laboratory Automation Technology) an ontological framework and open-source software package provides an abstraction layer for human- and machine-readable experiment specification, comprehensive and extensible (meta-)data capture, and structured data reporting.

ESCALATE_Capture

Data capture and experimental interfacing software for chemistry (part 1 of 2)

platipus

Thesis implementation of PLATIPUS

chemdescriptor

Generic molecular descriptor generator package

ESCALATE_report

Transform experimental data into ML ready datasets!

rapid

Data-connected jupyter notebook for the RAPID paper

serendipity_recommender

Code related to serendipity recommender paper

active_learning

Repo for the active learning research in the SD2 project

explaining-active-learning-queries

rdkit

A forked RDkit with some tweaks for easy installing on environments specific to the Dark Reactions Project

ESCALATE_validation

Validation module(s) for the ESCALATion pipeline

recommendation_engine

Repo for the recommendation engine that was part of the DRP project

ESCALATEClient

next_gen_publication

Example for next generation publication

rapid2

Data connected jupyter notebook for the rapid2 paper