This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

pytorch_cluster

PyTorch Extension Library of Optimized Graph Cluster Algorithms

qm-benchmark

qm.md

Source of the homepage qm.md

swift-cross-platform

unitconverter

unitkit

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