mukherjee07
Chemical Engineer interested in computational modeling using maths, mechanistic models, and machine learning
University of Notre DameNotre Dame
Pinned Repositories
Active-Learning-for-multicomponent-adsorption-in-a-MOF
An Active learning algorithm for multi-component adsorption prediction in MOF
airspace.github.io
A port of the Airspace theme by ThemeFisher to Jekyll. http://comh.cf/airspace-jekyll/
ANN-glycosylation
In this project we use artificial neural networks in order to describe the N-linked glycosylation profile of different recombinantly produced proteins, utilizing a variety of inputs.
Applied-Machine-Learning-Explainability-Techniques
Applied Machine Learning Explainability Techniques, published by Packt
blog
ORCA-Output
ORCA-Output-scanner
ORCA-project-Li-ion-battery-material-discovery
These are important tools written for working with ORCA (a computational chemistry open source package) in a super-computing environment. They include multiple job submission scripts (BASH), multiple job cancellation (BASH), job setup with different geometries (in python), data extraction (BASH), final optimized geometry extraction (BASH) and
Sequential-design-adsorption-for-small-molecules-in-MOFs
Sequential design of adsorption simulation for small molecule adsorption in a MOF
Water-vapor-adsorption
This is a code repository for routines developed for water vapor adsorption project in idealized structures.
mukherjee07's Repositories
mukherjee07/Active-Learning-for-multicomponent-adsorption-in-a-MOF
An Active learning algorithm for multi-component adsorption prediction in MOF
mukherjee07/ORCA-project-Li-ion-battery-material-discovery
These are important tools written for working with ORCA (a computational chemistry open source package) in a super-computing environment. They include multiple job submission scripts (BASH), multiple job cancellation (BASH), job setup with different geometries (in python), data extraction (BASH), final optimized geometry extraction (BASH) and
mukherjee07/ORCA-Output
mukherjee07/Water-vapor-adsorption
This is a code repository for routines developed for water vapor adsorption project in idealized structures.
mukherjee07/airspace.github.io
A port of the Airspace theme by ThemeFisher to Jekyll. http://comh.cf/airspace-jekyll/
mukherjee07/ANN-glycosylation
In this project we use artificial neural networks in order to describe the N-linked glycosylation profile of different recombinantly produced proteins, utilizing a variety of inputs.
mukherjee07/Applied-Machine-Learning-Explainability-Techniques
Applied Machine Learning Explainability Techniques, published by Packt
mukherjee07/blog
mukherjee07/coding-interview-university
A complete computer science study plan to become a software engineer.
mukherjee07/mukherjee007.github.io
My own personal website.
mukherjee07/Sequential-design-adsorption-for-small-molecules-in-MOFs
Sequential design of adsorption simulation for small molecule adsorption in a MOF
mukherjee07/computational_chemistry
Files used in TMP Chem videos on computational chemistry
mukherjee07/DeepLearning_NYU2020_Notes
studying notes about DeepLearning_NYU2020 course
mukherjee07/Hartree_Fock_jupyter_notebook
Hartree_Fock_jupyter_notebook
mukherjee07/ICC-Cricket-World-Cup-2019
Prediction of World Cup 2019 using Artificial Intelligence and Machine Learning.
mukherjee07/little_elephant.github.io
A directory of the best-looking themes for Jekyll blogs
mukherjee07/machine-learning-notes
My continuously updated Machine Learning, Probabilistic Models and Deep Learning notes and demos (1000+ slides) 我不间断更新的机器学习，概率模型和深度学习的讲义(1000+页)和视频链接
mukherjee07/Material_Discovery_using_Bayesian_Learning
mukherjee07/mcmd
Monte Carlo and Molecular Dynamics Simulation Package
mukherjee07/mm-github-pages-starter
Minimal Mistakes GitHub Pages site starter
mukherjee07/molecool
A tool to analyze trajectory files
mukherjee07/mukherjee07.github.io
:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.
mukherjee07/My-Tools
mukherjee07/ngboost_local
Natural Gradient Boosting for Probabilistic Prediction
mukherjee07/periodic-table
mukherjee07/predictive_model_MoWS2_alloy
mukherjee07/pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.
mukherjee07/raspa2_May_2018
mukherjee07/SSAGES-public
Public release of SSAGES
mukherjee07/Tutorial
The MolSSi's best practices