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GDB / Reymond Research Group

Jean-Louis Reymond Research Group at the University of Bern

82 followers
Bern - Switzerland
http://gdb.unibe.ch
gdb@gdb.tools

Overview
Repositories 40
Projects
Packages
People 2

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drfp Public

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

Jupyter Notebook 69 19
MultiStepRetrosynthesisTTL Public

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

Python 24 6

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Showing 10 of 40 repositories

pdga Public Forked from markusorsi/pdga

Python 0 MIT 1 0 0 Updated Jun 25, 2025
drfp Public
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.

Jupyter Notebook 69 MIT 19 4 0 Updated Jun 1, 2025
smilesDrawer Public
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.

JavaScript 500 MIT 77 68 (1 issue needs help) 18 Updated Mar 30, 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++ 231 MIT 39 34 2 Updated Nov 30, 2024
OpenNMT-py Public

Python 15 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 24 6 1 0 Updated Jul 2, 2024
10E60 Public

Jupyter Notebook 4 0 0 0 Updated May 30, 2024

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