Notes - Reaction-Space-Explorer/reac-space-exp GitHub Wiki

Welcome to the reac-space-exp wiki!

Tools we used in our project :

  • MOD : For generating reaction networks.

  • Neo4J : Graph Query Database.

  • RDKit : Open-Source Cheminformatics Software.

  • Google Colab : Collaborative Coding.

  • OpenBabel : The Open Source Chemistry Toolbox.

  • ChemSketch : Chemical Drawing Package.

  • Ambit-Tautomer : For Tautomer Generation.

  • CDK : Open Source modular Java libraries for Cheminformatics.

  • DataWarrior : An Open-Source Program for Data Visualization and Analysis.

  • RMG : Reaction Mechanism Generator.

This wonderful collaboration is possible due to combined efforts of Dr. Jim Cleaves 🧑‍🔬 and the group, under the BMSIS YSP program'2020

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