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shiny-md-collection Public
Helper scripts and templates for common daily tasks in Molecular Dynamics analysis
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MDParser Public
Parsers for Molecular Dynamics related file types
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LoopBuilder Public
Model missing loops in protein structures
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mdtraj Public
Forked from mdtraj/mdtrajAn open library for the analysis of molecular dynamics trajectories
Python GNU Lesser General Public License v2.1 UpdatedJan 25, 2025 -
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AlgoSB2021 Public
Exercise material for the AlgoSB machine learning winter school in Marseille (France) 2021
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CommonNNClustering-Benchmark Public
Benchmark facilities for common-nearest-neighbour clustering
Jupyter Notebook UpdatedNov 24, 2022 -
CommonNNClustering Public
A Python package for common-nearest-neighbours clustering
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Indirect Public
File system abstraction for Python based projects and workflows
Python MIT License UpdatedNov 11, 2022 -
Eski Public
Simple Cython framework for Molecular Dynamics simulations
Cython MIT License UpdatedSep 3, 2022 -
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Ancient Public
Convert between integers and roman numerals in Python
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cs-MSM Public
Core-set Markov-state model estimation
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scikit-learn-extra Public
Forked from scikit-learn-contrib/scikit-learn-extrascikit-learn contrib estimators
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 3, 2021 -
gmx2qmmm_portable Public
Forked from gmx2qmmm/gmx2qmmm_portableA python script to perform QM/MM calculation.
Python UpdatedJan 21, 2021 -
DeBaCl Public
Forked from CoAxLab/DeBaClDensity Based Clustering (DeBaCl) Toolbox
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scikit-learn Public
Forked from scikit-learn/scikit-learnscikit-learn: machine learning in Python
Python Other UpdatedJul 1, 2020 -
challenges Public
Forked from pybites/challengesPyBites Code Challenges
Jupyter Notebook UpdatedJun 30, 2020 -
msmlangerin Public
Contribution to SciPy John Hunter Excellence in Plotting Competition 2020
Jupyter Notebook UpdatedMay 18, 2020 -
jarvispatrick Public
Forked from llazzaro/jarvispatrickJarvis-Patrick Clustering that uses a nearest neighbor approach to clustering objects
Python MIT License UpdatedOct 12, 2019
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