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Red Hat
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BSC-CNS-EAPM/AdaptivePELE
BSC-CNS-EAPM/AdaptivePELE PublicAdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations
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znoyder
znoyder PublicForked from RedHatCRE/znoyder
Automate preparation of downstream CI jobs for Red Hat OpenStack Platform (OSP) releases.
Python
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drug_learning
drug_learning PublicForked from danielSoler93/drug_learning
Open package with DL and ML tools for drug discovery. It is based in a 3 branch package: 2D-QSAR, 3D-QSAR, simulation+AI
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mdtraj
mdtraj PublicForked from mdtraj/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
C
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PyEMMA
PyEMMA PublicForked from markovmodel/PyEMMA
🚂 Python API for Emma's Markov Model Algorithms 🚂
Python
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