The fundamental package for scientific computing with Python.
- numpy
- python
Repository Index
47,133 repositories indexed
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A Python Package to Tackle the Curse of Imbalanced Datasets in Machine Learning
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
- python
- spack
- package-manager
- hpc
Eclipse SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation.
- traffic
- simulation
- transport
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
A Python package to visualise neuroanatomical data in atlas space
- neuroscience
- python
- anatomy
- visualization
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.