Gaurav Masand

A Proven Track Record of Excellence

Category: Research

RadonPy: Automization of accurate property calculations for polymers

Introduction:   RadonPy is a python based open-source library that simplifies the process of automated calculation of a comprehensive set of polymer properties using classical MD simulations. With a given polymer repeating unit (monomer) and its chemical structure, the entire simulation process can be performed effortlessly, including molecular modeling, equilibration and non-equilibrium MD simulations, automatic
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Be Careful About ChatGPT Related Malware & Frauds

ChatGPT impersonating Malwares: What It Is and How to Remove It ChatGPT impersonating malware is a type of malicious software that is distributed under the guise of ChatGPT, a chatbot developed by OpenAI. ChatGPT has become extremely popular since its inception in the autumn of 2022, and its user base has grown to over 100
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ChatGPT for automation of Pandas Dataframes (Python-based)

Before you start Pandas AI or pandas-ai is useful with Pandas module in Python 3 and JuPyter Notebook. It is a Python library that integrates generative artificial intelligence capabilities into Pandas, making dataframes conversational!!! Whether you’re a beginner or an experienced data scientist, PandasAI can help you to take your data analysis to the next
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Automize machine learning using ChatGPT

Automize machine learning using ChatGPT

Before we start chatgptAutostats package does a lot of stuff for data scientists like automization of Multi-linear Regression (MLR) analysis and many more. Introduction The world of machine learning and artificial intelligence is constantly evolving, and the ChatGPT is one of the latest developments in this field. ChatGPT is a large language model trained by
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chatgpt pymol

ChatGPT’s Real Plugin for PyMOL

Introduction PyMOL is a powerful open-source software package used for molecular visualization and analysis. It was created by Warren Lyford DeLano and released in 2000, and since then it has become a popular tool for structural biologists, computational chemists, and other researchers working in the field of molecular biology. PyMOL is capable of rendering 3D
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AI-Generated Proteins As Potent Antibiotics

AI-Generated Proteins As Potent Antibiotics

Introduction The field of artificial intelligence (AI) has made groundbreaking advancements in various industries, and healthcare is no exception. One notable example is the use of large language models (LLMs) like ProGen, which has been trained on vast amounts of text data to analyze and generate language specific to proteins. This innovative technology has led
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ESMFold from Meta is ChatGPT of Proteins

Proteins are a fundamental component of living organisms and play a crucial role in many biological processes. Determining the three-dimensional structure of proteins is crucial to understanding their function, interactions with other molecules, and potential therapeutic applications. However, traditional methods for protein structure prediction can be time-consuming and expensive. The prediction of protein structure is
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ChatGPT: Autocoding in R

Introduction R is heavily used for statistics, data analysis, machine learning, cheminformatics, econometrics, chemometrics, neural network analysis, deep learning, graph plotting, a few to list. This blog post presents a guide on how to streamline multiple R tasks using ChatGPT, an advanced tool that enables the execution of R commands through natural language. ChatGPT was
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ChatGPT: The Future of Spectral Data Interpretation

Introduction Spectral data refers to the information obtained from studying how matter interacts with different types of electromagnetic radiation, such as infrared (IR), ultraviolet-visible (UV-Vis), nuclear magnetic resonance (NMR), and mass spectrometry (MS). Each type of spectroscopy provides unique information about a molecule’s chemical and physical properties. IR spectroscopy, for example, is used to determine
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