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A directory of tools, AI models, datasets, and research resources for biotech, bioinformatics, and other scientific fields. Aggregated from curated GitHub awesome-lists, HuggingFace, bio.tools, Bioconductor, and more.

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gisttools is a Python package and set of Jupyter notebooks designed to compute the free energy of solvation of molecules on a 3D grid using Grid Inhomogeneous Solvation Theory (GIST). It allows for detailed analysis of solvation energetics (energy and entropy contributions) around proteins and small molecules.

Idle61 year ago
Jupyter Notebook
GPL-3.0