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abhishekkrthakur

acs_catalysis_articles

This repo illustrates the scraping the special issues from ACS_Catalysis Journals and filter them out according to the user's interests. The filtered data will be sent to the user's email.

ai_with_pythonpytorch_uz

AI(ML,DL) projects for tutorial

ai_with_pythontensorflow_uz

aromaticity_of_molecules

Here, aromaticity of molecules have been classified by using Graphical Convolutional Network(GCN)

beginners-pytorch-deep-learning

Repository for scripts and notebooks from the book: Programming PyTorch for Deep Learning

catgym

Surface segregation using Deep Reinforcement Learning

catlearn

A machine learning environment for atomic-scale modeling in surface science and catalysis.

colabcode

Run VSCode (codeserver) on Google Colab or Kaggle Notebooks

datascience_mohirdev

Mohirdev.uz

deep-learning-coursera

Deep Learning Specialization by Andrew Ng on Coursera.

demography_uz

github-project-01

jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design

megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

ml-catalysis

Machine Learning for Catalysis

ocp

https://opencatalystproject.org/

open-catalyst-dataset

Workflow for creating and analyzing the Open Catalyst Dataset

practicum_datasets

Datasets for Data Science and AI Practicum

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pysisso

Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

sissokit

Modules for cross validation, evaluation and plot of SISSO

solubilityofmolecules-cnnvsmlp

transportsclassification

Transport Classification Model

vasp

New ASE compliant Python interface to VASP