Materials Science
Showing 8 of 8 projects
An open-source Python library for applying deep learning to drug discovery, materials science, quantum chemistry, and biology.
A differentiable, hardware-accelerated molecular dynamics simulation framework built on JAX for computational physics and materials science.
A curated list of awesome Python frameworks, libraries, software, and resources for chemistry and cheminformatics.
An open-source chemical toolbox for converting, analyzing, and manipulating molecular data across 90+ file formats.
A deep learning library built on Chainer for molecular property prediction using graph convolutional neural networks.
A PyTorch-based Python package for deep and machine learning analysis of microscopy data, designed for domain scientists.
A comprehensive family of R packages for analyzing spatial point pattern data and other spatial data types.
A Python machine learning and informatics suite for analyzing, mining, and modeling chemical and materials data.
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