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1. MonteCarloSimulation MonteCarloSimulation Public

   Implementing a Monte Carlo Simulation from scratch for a system of binary discrete variables arranged in a grid pattern (Ising model) and studying it's effects in a real world setting through imple…

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2. ChemPLAN-Net ChemPLAN-Net Public

   Novel binary-matching based deep learning model of a multi-label, multi-class problem targeting the drug discovery problem by matching protein sites to 1+ binding ligand fragments.

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3. RegressionAnalysisOfExperimentalData RegressionAnalysisOfExperimentalData Public

   Constructed and tested regression models to extrapolate data from a sparse matrix (<1%) to the rest of the prediction space. Predictor variables are embedded molecule features and response variable…

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4. NumericalAnalysis NumericalAnalysis Public

   Ab-initio Numerical Analysis implemented from scratch as a Molecular Dynamics Simulation of 2D gas particles, including initial and boundary conditions, taking into account real world limitations a…

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5. EnsembleFragFeatureNet EnsembleFragFeatureNet Public

   Deep learning based Ensemble implementation to solve a multi-label, multi-class problem. Novel embedding of a high-dimensional discrete target variable space inspired by Word2Vec.

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6. ClusteringAlgorithmComparison ClusteringAlgorithmComparison Public

   Clustering Algorithm Comparison in a research setting for a very dense high dimensional dataset. Includes description and study of of k-means, HDBSCAN and Markov Stability.