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Category: Python

CrysX – CompChem File Converter [WEB APP]

Python Quantum ChemistryAug 11, 2022Feb 8, 2023 Manas Sharma

Chemical File Format Converter The following is the Web Application built using Python, Open Babel, Py3Dmol and Streamlit that allows inter-conversion between various…

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Basis Set Converter Web Application

Python Quantum ChemistryApr 18, 2022Oct 13, 2022 Manas Sharma

The following is the Web Application built using Python, BSE and Streamlit that allows inter-conversion between various basis set formats used by different…

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basis set quantum chemistry inter conversion turbomole crystal

Microstructure Classification using Neural Networks – Streamlit App

Machine Learning PythonFeb 9, 2022Jul 31, 2022 Manas Sharma

In this post, I demonstrate a Streamlit app that I have created that can be used to classify microstructures of different types. I…

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Handwritten digit recognition using CrysX-NN neural network trained on MNIST_Plus

Machine Learning PythonJan 18, 2022Aug 11, 2022 Manas Sharma

In the last post, I showcased an app based on a neural network, trained on the MNIST dataset using the CrysX-NN library. The…

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Handwritten digit recognition using CrysX – Neural Network library and Streamlit Web App

Machine Learning PythonJan 16, 2022Aug 11, 2022 Manas Sharma

Recently, I wrote a blog post on creating a Streamlit app for recognizing handwritten digits using a convolutional neural network model with the…

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Digit recognition App (Streamlit) trained on the MNIST_Plus dataset using PyTorch CNN model

Machine Learning PythonJan 16, 2022Aug 11, 2022 Manas Sharma

In my previous blog post, I shared with you a streamlit app that recognizes handwritten digits entered by the user through mouse/touch input.…

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Streamlit App for Digit recognition trained on the MNIST dataset using PyTorch

Machine Learning PythonJan 12, 2022Jan 21, 2022 Manas Sharma

Recently, I learned how to program deep and convolutional neural networks using various frameworks like PyTorch and TensorFlow-Keras. Here is an application of…

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Mean Squared Error loss function and its gradient (derivative) for a batch of inputs [Python Code]

Machine Learning PythonDec 30, 2021Dec 31, 2021 Manas Sharma

In this post, I show you how to implement the Mean Squared Error (MSE) Loss/Cost function as well as its derivative for Neural…

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Efficient implementation of Tanh activation function and its Derivative (gradient) in Python

Machine Learning PythonDec 30, 2021Dec 30, 2021 Manas Sharma

The mathematical definition of the Tanh activation function is and its derivative is defined as The Tanh function and its derivative for a…

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Efficient implementation of Softplus activation function and its Derivative (gradient) in Python

Machine Learning PythonDec 30, 2021Dec 30, 2021 Manas Sharma

The mathematical definition of the Softplus activation function is with the derivative defined as , which is actually the Sigmoid function. We have…

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