Pinned Repositories
chemdescriptor
Generic molecular descriptor generator package
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)
ESCALATE_report
Transform experimental data into ML ready datasets!
explaining-active-learning-queries
platipus
Thesis implementation of PLATIPUS
rapid
Data-connected jupyter notebook for the RAPID paper
rdkit
A forked RDkit with some tweaks for easy installing on environments specific to the Dark Reactions Project
serendipity_recommender
Code related to serendipity recommender paper
Dark Reactions Project's Repositories
darkreactions/DRP
darkreactions/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.
darkreactions/chemdescriptor
Generic molecular descriptor generator package
darkreactions/ESCALATE_Capture
Data capture and experimental interfacing software for chemistry (part 1 of 2)
darkreactions/platipus
Thesis implementation of PLATIPUS
darkreactions/ESCALATE_report
Transform experimental data into ML ready datasets!
darkreactions/rapid
Data-connected jupyter notebook for the RAPID paper
darkreactions/serendipity_recommender
Code related to serendipity recommender paper
darkreactions/active_learning
Repo for the active learning research in the SD2 project
darkreactions/explaining-active-learning-queries
darkreactions/rdkit
A forked RDkit with some tweaks for easy installing on environments specific to the Dark Reactions Project
darkreactions/ESCALATE_validation
Validation module(s) for the ESCALATion pipeline
darkreactions/recommendation_engine
Repo for the recommendation engine that was part of the DRP project
darkreactions/ESCALATEClient
darkreactions/next_gen_publication
Example for next generation publication
darkreactions/rapid2
Data connected jupyter notebook for the rapid2 paper