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Package Name Access Summary Updated
openforcefields public Force fields released by the Open Force Field Initiative 2025-03-25
openforcefield_forcefields public Force fields released by the Open Force Field Initiative 2025-03-25
protons public No Summary 2025-03-25
openmmforcefields public No Summary 2025-03-25
openmm-cuda75 public A high performance toolkit for molecular simulation. 2025-03-25
gpflow public No Summary 2025-03-25
shiftx2 public SHIFTX2 predicts both the backbone and side chain 1H, 13C and 15N chemical shifts for proteins using their structural (PDB) coordinates as input. 2025-03-25
hmmlearn public Hidden Markov Models in Python with scikit-learn like API 2025-03-25
parmed None A package for parsing, interconverting, manipulating, and simulating biomolecular simulations with many packages 2025-03-25
openmm None A high performance toolkit for molecular simulation. 2025-03-25

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