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@reymond-group

GDB / Reymond Research Group

Jean-Louis Reymond Research Group at the University of Bern

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  1. drfp drfp Public

    An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.

    Jupyter Notebook 61 17

  2. MultiStepRetrosynthesisTTL MultiStepRetrosynthesisTTL Public

    Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions

    Python 17 5

Repositories

Showing 10 of 39 repositories
  • tmap Public

    A very fast visualization library for large, high-dimensional data sets.

    reymond-group/tmap’s past year of commit activity
    C++ 210 30 31 3 Updated Oct 3, 2024
  • mapchiral Public Forked from markusorsi/mapchiral

    Chiral version of the MinHashed Atom-Pair Fingerprint

    reymond-group/mapchiral’s past year of commit activity
    Python 0 4 0 0 Updated Sep 27, 2024
  • mxfp_python Public Forked from markusorsi/mxfp_python

    Open-source version of the MXFP fingerprint based on Python and the RDKit

    reymond-group/mxfp_python’s past year of commit activity
    HTML 0 MIT 1 0 0 Updated Sep 27, 2024
  • NPstereo Public

    Repository for the NPstereo chirality prediction tool

    reymond-group/NPstereo’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Sep 19, 2024
  • smilesDrawer Public

    A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.

    reymond-group/smilesDrawer’s past year of commit activity
    JavaScript 437 MIT 70 77 (1 issue needs help) 18 Updated Jul 29, 2024
  • MultiStepRetrosynthesisTTL Public

    Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions

    reymond-group/MultiStepRetrosynthesisTTL’s past year of commit activity
    Python 17 5 0 0 Updated Jul 2, 2024
  • OpenNMT-py Public
    reymond-group/OpenNMT-py’s past year of commit activity
    Python 13 MIT 6 1 1 Updated Jul 2, 2024
  • 10E60 Public
    reymond-group/10E60’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 30, 2024
  • LLM_classifier Public
    reymond-group/LLM_classifier’s past year of commit activity
    Jupyter Notebook 6 1 1 0 Updated Mar 11, 2024
  • lore Public

    WebGL engine for (big) data visualization.

    reymond-group/lore’s past year of commit activity
    JavaScript 30 MIT 5 1 15 Updated Oct 26, 2023
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