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1. tensorflow/tensorflow tensorflow/tensorflow Public

   An Open Source Machine Learning Framework for Everyone

   C++ 186k 74.2k

2. deepchem/deepchem deepchem/deepchem Public

   Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

   Python 5.4k 1.7k

3. seyonechithrananda/bert-loves-chemistry seyonechithrananda/bert-loves-chemistry Public

   bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

   Jupyter Notebook 392 60

4. chemprop chemprop Public

   Forked from chemprop/chemprop

   Message Passing Neural Networks for Molecule Property Prediction

   Python

5. lmcinnes/umap lmcinnes/umap Public

   Uniform Manifold Approximation and Projection

   Python 7.4k 800

6. TieDecay TieDecay Public

   Code accompanying "Tie-decay temporal networks in continuous time and eigenvector-based centralities" by Walid Ahmad, Mason Porter, and Mariano Beguerisse-Díaz.

   Jupyter Notebook