OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.

The fundamental package for scientific computing with Python.

SciPy library main repository

An Open Source Machine Learning Framework for Everyone

Tensors and Dynamic neural networks in Python with strong GPU acceleration

Seamless operability between C++11 and Python

Open MPI main development repository

Mars is a tensor-based unified framework for large-scale data computation which scales numpy, pandas, scikit-learn and Python functions.

ParaMonte: Parallel Monte Carlo and Machine Learning Library for Python, MATLAB, Fortran, C++, C.

A Slurm cluster using docker-compose

The official repository for the AiiDA code

About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/@dr_k_ch…

Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.

Apptainer: Application containers for Linux