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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 597 89

2. tmap tmap Public

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

   C++ 260 45

3. 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

4. drfp drfp Public

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

   Jupyter Notebook 82 20

5. GDB-ML GDB-ML Public

   Forked from Ye-Buehler/GDB-ML

   GDB-20 generation

   Python

6. 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