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Xponge: A Python package to perform pre- and post-processing of molecular simulations
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published Published about 1 year ago
pyscreener: A Python Wrapper for Computational Docking Software
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published Published over 1 year ago
OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database
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LDDS: Python package for computing and visualizing Lagrangian Descriptors for Dynamical Systems
Python Jupyter Notebook
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buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters
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published Published about 2 years ago
kallisto: A command-line interface to simplify computational modelling and the generation of atomic features
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polypy - Analysis Tools for Solid State Molecular Dynamics and Monte Carlo Trajectories
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ELECTRIC: Electric fields Leveraged from multipole Expansion Calculations in Tinker Rapid Interface Code
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