Package containing several workflows to compute molecular properties for nanomaterials

• UpdatedJun 28, 2024
• Python

Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

• UpdatedDec 15, 2024
• Python

Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles

• UpdatedOct 23, 2021
• Python

NanoForge is a powerful Rust package specifically crafted for designing and manufacturing ultra-high-performance nanomachines. It is positioned to be the PyTorch equivalent in the nanotechnology domain, merging simplicity with high performance.

• UpdatedJul 31, 2023

The OpenScribe software for fabrication of materials with complex nanovoxelated structures

• UpdatedMar 8, 2025
• Python

LAMMPS-DATA models for the project A.A. Tsukanov, B. Turk, O. Vasiljeva and S.G. Psakhie. Computational Indicator Approach for Assessment of Nanotoxicity of Two-Dimensional Nanomaterials. Nanomaterials 2022, 12, 650.https://doi.org/10.3390/nano12040650

• UpdatedFeb 15, 2022

Computation and filtering of molecular properties

• UpdatedFeb 5, 2024
• Python

• UpdatedOct 22, 2020

My name is Blibo Albert. I am a chemical engineering graduate from Kwame Nkrumah University of Science in Technology. In this repository, you will find my data science related projects. As an aspiring domain-expert data scientist in the field of chemical engineering, I am open to learn from industry experts. Contact me let's work on that project.

• UpdatedMar 28, 2023
• Jupyter Notebook

Characterization of a single meta-atom pillar under local phase approximation demonstrating high transmission and linear phase shift.

• UpdatedJun 15, 2024
• Python

Python web application developed for nanomaterials course project

• UpdatedNov 27, 2022
• Python

A gene regulation model reveals an ancestral adaptation response to particulate exposure triggered by nanomaterials

• UpdatedOct 31, 2024
• R