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1. GNN-Transformers GNN-Transformers Public

   Graph neural network for phenotypic virtual screening on cancer cell line libraries

   Python 5 1

2. ChemSuite ChemSuite Public

   ChemSuite : Complete package for Chemoinformatics calculations and Machine Learning models development

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3. CNN-MNIST CNN-MNIST Public

   Simple implementation of CNN on MNIST dataset

   Python

4. Bulk_Morgan_fingerprints Bulk_Morgan_fingerprints Public

   Bulk_morgan_fingerprints is able to generate the Morgan fingerprints for 50,000 molecules in 20 seconds using 20 core CPU.

   Python

5. Bayesian_optimization Bayesian_optimization Public

   One place to optimize the hyper parameters for any Machine learning algorithm

   Python

6. Drug-Info-Tool Drug-Info-Tool Public

   This is a tool developed for the collection of all information related to a drug like CAS number, Medline Plus ID, Molar mass, InChI key, PubChem ID, Drug Bank ID, ChemSpider, ChEBI, ChEMBL etc. In…

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