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1. smilesDrawer smilesDrawer Public

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

   JavaScript 584 87

2. tmap2 tmap2 Public

   Forked from afloresep/tmap2

   Tree-based visualization for high-dimensional data. Organizes similar items into interactive tree structures for any high-dimensional dataset.

   Jupyter Notebook

3. drfp drfp Public

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

   Jupyter Notebook 81 20

4. MultiStepRetrosynthesisTTL MultiStepRetrosynthesisTTL Public

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

   Python 29 6

5. Chelombus Chelombus Public

   Forked from afloresep/Chelombus

   Chelombus: Streaming Product Quantization for large-scale clustering and visualization of molecular data (or other high-dimensional data)

   Python

6. tmap tmap Public

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

   C++ 258 45