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Graph-Based-Molecular-Synthesis
Graph-Based-Molecular-Synthesis PublicForked from wcatykid/Graph-Based-Molecular-Synthesis
Synthesis of molecules from fragments into larger molecules using graph-based representations and techniques.
C++ 1
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Mol_MassSpectra_MLP
Mol_MassSpectra_MLP PublicImplementation of mass spectrum prediction from Extended Connectivity Fingerprint (ECFP) and Extended 3-Dimensional Fingerprint (E3FP) using MLP
Python 1
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OpenChem-Implementation-for-Prediction-Solubility
OpenChem-Implementation-for-Prediction-Solubility PublicForked 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
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aaconservation
aaconservation PublicForked from homiak/aaconservation
A library for calculating Amino Acid conservation in sequence alignment
Java 1
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