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Peter Schmidtke's Projects

ccdutils icon ccdutils

Fork from the pdbe ccdutils repo gitlab.ebi.ac.uk/pdbe/ccdutils

fastpages icon fastpages

An easy to use blogging platform, with enhanced support for Jupyter Notebooks.

html-import-2 icon html-import-2

A WordPress plugin to import content from static HTML files.

mdtraj icon mdtraj

A modern, open library for the analysis of molecular dynamics trajectories

openforcefield icon openforcefield

Open Forcefield Toolkit: http://open-forcefield-toolkit.readthedocs.io

pdbtools icon pdbtools

Tool(s) for cleaning, munging and analysing PDB files for structural bioinformatics analysis.

rdkit icon rdkit

The official sources for the RDKit library

rxdock icon rxdock

RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout 99d2779 after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]

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