Molecular Docking in Google Colab

Molecular docking is an essential process in scientific drug discovery. By using the recent advances in generative deep learning the runtime required for such docking studies can be reduced significantly without comprimising accuracy compared to traditional methods. In this article, let us get familiarize ourselves with one open-source molecular docking codebase. The codebase named DiffDock …

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svm hyperplane

Essential Concepts and Implementation of Support Vector Machines

What are Support Vector Machines? Support Vector Machines (SVM) is one of the most elegant methods used for classification and regression in machine learning (ML). We can use SVM when we have a bunch of objects/features which we want to classify. SVM performs the classification by drawing a hyperplane (Figure.1) to separate each category of …

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Predicting Genetic Mutations as Primary or Metastasis Using Deep Learning

Overview Genetics is behind every physiological aspect of a living being such as height, eye color, hair color, etc. Mutations are unwanted changes happening to genetic code for various reasons. The main reasons account for such changes are hereditary, exposure to environmental radiation, and errors that occur in DNA replication. Some of these mutations alter …

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Breast Cancer Survival Prediction with Clinical and Gene Expression Data

Overview Cancer is a disease in which cells in the human body grow uncontrollably. This phenomenon often spreads to other parts of the body. Human bodies contain trillions of cells. Human growth starts with a one-celled zygote. Both sperm and egg from biological parents meet and form the zygote. The process of cell division is …

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Density Functional Theory

A Lighter Perspective to Density Functional Theory

The diverse properties of materials upon which material science researchers possess enormous enthusiasm are categorized into magnetic, transport, optical and superconducting properties. As we know, materials are made up of atoms comprised of electrons and nuclei and all these material properties originate from the interactions among electrons and atomic nuclei. Classical mechanics can describe the …

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Nanofabrication of MRAM

Nanofabrication deals with the fabrication of materials and structures at nanoscale. The essential requirements of a nanofabrication are a clean room which is devoid of particles and contaminations and also a specially designed equipment facility for thin film deposition, patterning and etching. We are all familiar with integrated chips (ICs). ICs are manufactured through nanofabrication …

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Feature Engineering to make the data elegant and interpretable for the machine learning model

If you have some raw data and want to convert in into meaningful insight, feature engineering in machine learning is one of the best tools to help you. Imagine a real-life situation where you want to know how frequently a customer order food from your restaurant in order to offer best customer service. In such …

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Quantum computing, a superb technology advancement to supercomputers

Supercomputers are a class of high-performance systems comprised of multiple central processing units (CPUs) in order to achieve high computational rates. They achieve fastest performance at a given time by using vector arithmetic which enables the system to operate on pairs of lists of numbers instead of simple pairs of numbers. For instance, if we …

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