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Author:
Hassan
License:
MIT License
Copyright (c) 2026 Hassan
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentati...
Summary:
Adaptive sampling on MD trajectories via clustering and policy-driven seed selection
Latest version:
0.3.0
Required dependencies:
click
|
joblib
|
mdtraj
|
numpy
|
pyyaml
|
scikit-learn
|
scipy
Optional dependencies:
deeptime
|
mkdocs-material
|
mkdocstrings
|
pytest
|
torch
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