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Popular repositories

  1. Graph-Based-Molecular-Synthesis Graph-Based-Molecular-Synthesis Public

    Forked from wcatykid/Graph-Based-Molecular-Synthesis

    Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.

    C++ 1

  2. Mol_MassSpectra_MLP Mol_MassSpectra_MLP Public

    Implementation of mass spectrum prediction from Extended Connectivity Fingerprint (ECFP) and Extended 3-Dimensional Fingerprint (E3FP) using MLP

    Python 1

  3. OpenChem-Implementation-for-Prediction-Solubility OpenChem-Implementation-for-Prediction-Solubility Public

    Forked from parthajitp/OpenChem-Implementation-for-Prediction-Solubility

    The code repository contains experimentation on the OpenChem Framework to predict solubilities of small molecules in organic solvents

    Jupyter Notebook 1

  4. cPEPmatch cPEPmatch Public

    Computational approach to rationally design cyclic peptides that bind to protein-protein interfaces.

    Jupyter Notebook 1 1

  5. aaconservation aaconservation Public

    Forked from homiak/aaconservation

    A library for calculating Amino Acid conservation in sequence alignment

    Java 1

  6. SCpubr SCpubr Public

    Forked from enblacar/SCpubr

    Package to generate high quality, publication ready visualizations for single cell transcriptomics data.

    R 1