mukhtarbayerouniversity Goto Github PK

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mukhtarbayerouniversity's Projects

deep-learning-project-radon-dataset

To predict radon levels in U.S homes by applying deep learning model (Sequential Model)

deep-learning-to-find-superconductors

Deep-Learning-to-find-Superconductors

Supplementary material accompanying Frey, N. C.; Akinwande, D.; Jariwala, D.; Shenoy, V. B. Machine Learning-Enabled Design of Point Defects in 2D Materials for Quantum and Neuromorphic Information Processing, ACS Nano (2020).

desmiles

Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"

displ

Utilities for transition metal dichalcogenide DFT and Wannier analysis, including transverse electric field and interlayer displacement

dmft_nn

DMFT calculations and Machine Learning prediction of Mott transition.

dragonfly

An open source python library for scalable Bayesian optimisation.

drug-discovery-using-machine-learning

Drug Discovery using Machine Learning (For Breast Cancer and Alzheimer Disease)

drugdiscovery-tox21

Drug discovery project by making use of the Tox-21 dataset.

drug_discovery_project

A computational drug discovery project, in which bioinformatic and machine learning tools are used to identify possible molecular targets and drug chemical features to treat prostate cancer

dscribe

DScribe is a python package for creating machine learning descriptors for atomistic systems.

elastic

A module for ASE for elastic constants calculation.

elatools

ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials

elphmod

Python modules for electron–phonon models

em-template

Article template for an Elemental Microscopy article

epc_grid_splitting

Electron-Phonon Coupling (EPC) calculation in Quantum Espresso program with q-mesh and irreducible representation splitting

epw-nano

Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-phonon scattering, defect scattering, and phonon drag.

erc_template

ERC Proposal template (StG, CoG, AdG)

erlabpy

ERLabPy provides tools and utilities to handle, manipulate, and visualize data from angle-resolved photoemission spectroscopy (ARPES) experiments.

espresso

Notes and tutorials on density functional theory calculations using Quantum Espresso.

eunomia

Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts

exabyte-api-examples

Example usage of Exabyte.io platform through its RESTful API: programmatically create materials and modeling workflows, execute simulations on the cloud, analyze data and build machine learning models