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    16 repositories

    • ESCALATE_report

      Public
      Transform experimental data into ML ready datasets!
      chemistrycheminformaticsmaterials-informaticsmaterials-platformdatasethaverford
      Python
      •
      MIT License
      •1•2•3•2•Updated May 3, 2024May 3, 2024

    • serendipity_recommender

      Public
      Code related to serendipity recommender paper
      Jupyter Notebook
      •
      MIT License
      •0•2•3•0•Updated Mar 24, 2023Mar 24, 2023

    • ESCALATE

      Public
      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.
      PLpgSQL
      •
      MIT License
      •4•20•50•4•Updated Feb 16, 2023Feb 16, 2023

    • DRP

      Public
      Python
      •16•57•4•16•Updated Dec 26, 2022Dec 26, 2022

    • ESCALATEClient

      Public
      Python
      •0•0•0•1•Updated Jun 30, 2022Jun 30, 2022

    • ESCALATE_Capture

      Public
      Data capture and experimental interfacing software for chemistry (part 1 of 2)
      chemistrycheminformaticsinformaticsdataset-generationmaterials-informaticsmaterials-chemistry
      Python
      •
      MIT License
      •2•6•10•4•Updated Jun 21, 2022Jun 21, 2022

    • rapid2

      Public
      Data connected jupyter notebook for the rapid2 paper
      JavaScript
      •
      MIT License
      •1•0•0•0•Updated Jan 20, 2022Jan 20, 2022

    • chemdescriptor

      Public
      Generic molecular descriptor generator package
      Python
      •
      MIT License
      •1•6•2•0•Updated Nov 19, 2021Nov 19, 2021

    • rapid

      Public
      Data-connected jupyter notebook for the RAPID paper
      JavaScript
      •
      MIT License
      •2•2•0•0•Updated Apr 28, 2021Apr 28, 2021

    • platipus

      Public
      Thesis implementation of PLATIPUS
      Mathematica
      •2•6•0•0•Updated Dec 14, 2020Dec 14, 2020

    • active_learning

      Public
      Repo for the active learning research in the SD2 project
      Python
      •1•1•0•0•Updated May 1, 2020May 1, 2020

    • recommendation_engine

      Public
      Repo for the recommendation engine that was part of the DRP project
      Python
      •1•0•2•1•Updated Feb 10, 2020Feb 10, 2020

    • next_gen_publication

      Public
      Example for next generation publication
      JavaScript
      •0•0•0•0•Updated Feb 3, 2020Feb 3, 2020

    • ESCALATE_validation

      Public
      Validation module(s) for the ESCALATion pipeline
      MIT License
      •0•0•0•0•Updated May 13, 2019May 13, 2019

    • explaining-active-learning-queries

      Public
      Python
      •0•1•0•0•Updated May 13, 2017May 13, 2017

    • rdkit

      Public
      A forked RDkit with some tweaks for easy installing on environments specific to the Dark Reactions Project
      C++
      •
      Other
      •887•1•0•0•Updated May 1, 2017May 1, 2017