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DASH-tree Public
Forked from rinikerlab/DASH-treePartial Charge assignment for Molecular Dynamics
Python MIT License UpdatedJan 27, 2025 -
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rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
HTML BSD 3-Clause "New" or "Revised" License UpdatedSep 13, 2024 -
GNNImplicitSolvent Public
Forked from rinikerlab/GNNImplicitSolventImplicit Solvent Approach Based on Generalised Born and Transferable Graph Neural Networks for Molecular Dynamics Simulations
Jupyter Notebook MIT No Attribution UpdatedApr 23, 2024 -
PyGromosTools Public
Forked from rinikerlab/PyGromosToolsThis 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.
Python MIT License UpdatedJul 21, 2023 -
cpptraj Public
Forked from Amber-MD/cpptrajBiomolecular simulation trajectory/data analysis.
C++ Other UpdatedJun 7, 2022 -
gisttools Public
Forked from liedllab/gisttoolsPost-processing of data generated by the GIST (Grid Inhomogeneous Solvation Theory) action in cpptraj
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git_training Public
Forked from UnseenWizzard/git_trainingAn interactive git training meant to teach you how git works, not just which commands to execute
UpdatedJul 4, 2019
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