Starred repositories
An example connection between Aspen Plus and Python
Useful methods for interacting with the file system
Meta-package for data analysis in Julia, modeled after the R tidyverse.
A Julia interface to the NLopt nonlinear-optimization library
Julia package of loss functions for machine learning.
Utilities and abstractions for Machine Learning tasks
Experimental design and Bayesian optimization library in Python/PyTorch
Python Multiscale Thermochemistry Toolbox (pMuTT)
Automatically generates FORtran Documentation from comments within the code.
Machine Learning From Scratch. Bare bones NumPy implementations of machine learning models and algorithms with a focus on accessibility. Aims to cover everything from linear regression to deep lear…
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A curated list of Python packages related to chemistry
Detecting whether a person is wearing a face mask and what type of mask they are wearing with TensorFlow and Raspberry Pi
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 …
Deep universal probabilistic programming with Python and PyTorch
🐳 A curated list of Docker resources and projects
🐬 A comprehensive tutorial on getting started with Docker!
Plotting library for IPython/Jupyter notebooks
Interactive Widgets for the Jupyter Notebook
Introduction to Uncertainty Quantification
A set of useful perceptually uniform colormaps for plotting scientific data
Python Package to write SVG files (UNMAINTAINED)