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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 Public

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

    Jupyter Notebook 64 19

  2. MultiStepRetrosynthesisTTL Public

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

    Python 21 5

Repositories

Showing 10 of 39 repositories
  • smilesDrawer Public

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

    JavaScript 465 MIT 74 75 (1 issue needs help) 18 Updated Mar 8, 2025
  • drfp Public

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

    Jupyter Notebook 64 MIT 19 4 0 Updated Mar 7, 2025
  • NPstereo Public Forked from markusorsi/NPstereo

    Repository for the NPstereo chirality prediction tool

    Jupyter Notebook 2 MIT 2 0 0 Updated Feb 14, 2025
  • mapchiral Public Forked from markusorsi/mapchiral

    Chiral version of the MinHashed Atom-Pair Fingerprint

    Python 0 5 0 0 Updated Jan 16, 2025
  • tmap Public

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

    C++ 220 MIT 36 32 1 Updated Nov 30, 2024
  • OpenNMT-py Public
    Python 14 MIT 5 1 1 Updated Nov 25, 2024
  • mxfp_python Public Forked from markusorsi/mxfp_python

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

    HTML 1 MIT 1 0 0 Updated Sep 27, 2024
  • MultiStepRetrosynthesisTTL Public

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

    Python 21 5 1 0 Updated Jul 2, 2024
  • 10E60 Public
    Jupyter Notebook 4 0 0 0 Updated May 30, 2024
  • LLM_classifier Public
    Jupyter Notebook 6 2 1 0 Updated Mar 11, 2024
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