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Raj Rai's Projects

pandas icon pandas

:octocat: Pandas for Data frame, indexing, lambda functions, and Data visualization :rocket:

pwtools icon pwtools

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

pymc icon pymc

Probabilistic Programming in Python: Bayesian Modeling and Probabilistic Machine Learning with Aesara

python-fundamentals icon python-fundamentals

:octocat: Python Basics with fundamental datastructure, loops, functions and class, input/output, plotting

pytorch icon pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

pyvista icon pyvista

3D plotting and mesh analysis through a streamlined interface for the Visualization Toolkit (VTK)

qiskit icon qiskit

Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.

scipy icon scipy

:octocat: Introduction to Scientific Computing (e.g., differentiation, integration, interpolation, differential equations) with Numpy, Scipy, Matplotlib, Pandas

seekpath icon seekpath

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

simulation icon simulation

:book: Algorithms in simulation: Markov chain Monte Carlo, Hybrid Monte Carlo, Heat Bath Algorithm, Path integral, Density matrices etc.

snn icon snn

This is a repository with implementations of neuron models, synapses, and spiking neural networks (SNN). It's still in development and it has original content in terms of code.

solid_dmft icon solid_dmft

solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.

tensorflow icon tensorflow

An Open Source Machine Learning Framework for Everyone

visualization icon visualization

:octocat: Data Visualization with Matplotlib, Pandas, Seaborn , Plotly, Bohek :rocket:

wavefunction icon wavefunction

Python package for calculating wavefunctions for 1D and 2D potentials.

woptic icon woptic

optical conductivity with Wannier functions and adaptive k-mesh refinement

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