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Name: GDB / Reymond Research Group
Type: Organization
Bio: Jean-Louis Reymond Research Group at the University of Bern
Location: Bern - Switzerland
Blog: http://gdb.unibe.ch
Name: GDB / Reymond Research Group
Type: Organization
Bio: Jean-Louis Reymond Research Group at the University of Bern
Location: Bern - Switzerland
Blog: http://gdb.unibe.ch
Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.
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Free and Open Source Public Web CDN for web developer!
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An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
Web-based visualization of large, high-dimensional datasets.
A python module for generating interactive views of chemical spaces.
Score SMILES encoded structures for synthetic feasibility using ChEMBL compounds as reference
WebGL engine for (big) data visualization.
The MinHashed Atom Pair fingerprint of radius 2
The Natural Products Atlas in the MAP4 chemical space. Visualization and machine learning application
Chiral version of the MinHashed Atom-Pair Fingerprint
Molecular MHFP fingerprints for cheminformatics applications
Machine Learning Designs Non-Hemolytic Antimicrobial Peptides
Multi-Step Retrosynthesis Tool based on Augmented Disconnection Aware Triple Transformer Loop Predictions
Open-source version of the MXFP fingerprint based on Python and the RDKit
The tool chain to create colored maps for chemical spaces using incremental PCA and binning.
Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
Source code and documentation of a specialized computer assisted synthesis planning (CASP) tool used for the deconstruction of ring systems. The code does not support full tree search and is intended as supplementary material to the published paper.
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Open source projects and samples from Microsoft.
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Data-Driven Documents codes.
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