Pinned Repositories
abiconfig
Configuration files to configure/compile Abinit
abipy
Open-source library for analyzing the results produced by ABINIT
aiida-alloy
aiida_siesta_plugin_aakhtar
Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
atomate2
atomate2 is a library of computational materials science workflows
banddownfolder
Downfold electron/phonon/magnon/etc Hamiltonian
CASTEP-ML-data
Accompanying data for manuscript: "Machine-learned acceleration for molecular dynamics in CASTEP"
chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
DeepRelax
arsalan-akhtar's Repositories
arsalan-akhtar/abiconfig
Configuration files to configure/compile Abinit
arsalan-akhtar/abipy
Open-source library for analyzing the results produced by ABINIT
arsalan-akhtar/aiida_siesta_plugin_aakhtar
Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
arsalan-akhtar/atomate2
atomate2 is a library of computational materials science workflows
arsalan-akhtar/CASTEP-ML-data
Accompanying data for manuscript: "Machine-learned acceleration for molecular dynamics in CASTEP"
arsalan-akhtar/chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
arsalan-akhtar/DeepRelax
arsalan-akhtar/DiSPy
Utility for applying the distortion symmetry method.
arsalan-akhtar/flos
Lua scripts for interfacing SIESTA to Lua scripts using the flook code
arsalan-akhtar/fireworks
The Fireworks Workflow Management Repo.
arsalan-akhtar/handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
arsalan-akhtar/Hartree_Fock_jupyter_notebook
Hartree_Fock_jupyter_notebook
arsalan-akhtar/IntroductionToComputationalPhysicalChemistry
Errata and code for Introduction to Computational Physical Chemistry Book
arsalan-akhtar/jobflow
jobflow is a library for writing computational workflows.
arsalan-akhtar/jobflow-remote
jobflow-remote is a Python package to run jobflow workflows on remote resources.
arsalan-akhtar/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
arsalan-akhtar/mace-mp
MACE-MP models
arsalan-akhtar/MathForDeepLearning
Source code for the book "Math for Deep Learning" (No Starch Press)
arsalan-akhtar/oncvpsp
The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials
arsalan-akhtar/persian-fonts-linux
Persian fonts installer for linux
arsalan-akhtar/PracticalDeepLearningPython
Source code for the book "Practical Deep Learning: A Python-Based Introduction" (No Starch Press)
arsalan-akhtar/pseudo_dojo
Python framework for generating and validating pseudo potentials
arsalan-akhtar/pyDFTutils
A python package of utils for DFT, Tight binding, etc.
arsalan-akhtar/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
arsalan-akhtar/pymatviz
A toolkit for visualizations in materials informatics.
arsalan-akhtar/python_how_to
Readings
arsalan-akhtar/QR-Code-generator
High-quality QR Code generator library in Java, TypeScript/JavaScript, Python, Rust, C++, C.
arsalan-akhtar/SevenNet
arsalan-akhtar/sisl
Scientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)
arsalan-akhtar/YouTube_videos
The source code of the videos shared on Youtube