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Uploaded Mon Dec 19 16:02:08 2022
md5 checksum 20cbebcf75788683f5edec3c2acc2cc4
arch x86_64
build py310_0
depends acemd3 >=3.5.1, ambertools >=22, anaconda-client >=1.11.0, biopython >=1.80, deeptime >=0.4.3, h5py >=3.7.0, ipython >=8.7.0, ipywidgets <8, joblib >=1.2.0, jobqueues >=0.6.5, jupyter_console >=6.4.4, matplotlib >=3.6.2, mdtraj >=1.9.7, moleculekit >=1.2.5, natsort >=8.2.0, networkx >=2.8.8, nglview >=3.0.3, notebook >=6.5.2, numpy >=1.17, openbabel >=3.1.1, openmm >=7.7.0, openpyxl >=3.0.10, pandas >=1.1.2, pdb2pqr >=3.5.2+18, pint >=0.20.1, plumed2 >=2.3.3+htmd.4, propka >=3.4.0, protocolinterface >=0.4.5, pymol-open-source >=2.5.0, python >=3.10,<3.11.0a0, python_abi 3.10.* *_cp310, rdkit >=2020.09.3, scikit-learn 1.1.2.*, tqdm >=4.64.1, vina >=1.1.101
machine x86_64
operatingsystem linux
platform linux
subdir linux-64
target-triplet x86_64-any-linux
timestamp 1671465292558